! Pwscf input file created with ciftopw.py 
! Compound: LiGaI4
&control
         calculation     = 'bands'
         prefix          = 'LiGaI4'
         restart_mode    = 'from_scratch'
         outdir          = './'
         wf_collect      = .true.
         verbosity       = 'high'
       /
&system
         ibrav           =  14
         celldm(1)       =           14.0123182084349995
         celldm(2)       =            1.0898179366149696
         celldm(3)       =            2.0044504383007418
         celldm(4)       =            0.0507672487161163
         celldm(5)       =            0.0000000000000001
         celldm(6)       =            0.0000000000000001
         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
Li   6.9410 Li.rel-pbe-s-rrkjus_psl.1.0.0.UPF 
 I 126.9045 I.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
Ga  69.7230 Ga.rel-pbe-dnl-rrkjus_psl.1.0.0.UPF 
ATOMIC_POSITIONS crystal
K_POINTS crystal
161
      0.00000000       0.00000000       0.00000000 1.0 
      0.00000000       0.00000000       0.04545455 1.0 
      0.00000000       0.00000000       0.09090909 1.0 
      0.00000000       0.00000000       0.13636364 1.0 
      0.00000000       0.00000000       0.18181818 1.0 
      0.00000000       0.00000000       0.22727273 1.0 
      0.00000000       0.00000000       0.27272727 1.0 
      0.00000000       0.00000000       0.31818182 1.0 
      0.00000000       0.00000000       0.36363636 1.0 
      0.00000000       0.00000000       0.40909091 1.0 
      0.00000000       0.00000000       0.45454545 1.0 
      0.00000000       0.00000000       0.50000000 1.0 
      0.00000000       0.00000000       0.50000000 1.0 
      0.00000000       0.02565554       0.50239556 1.0 
      0.00000000       0.05131108       0.50479111 1.0 
      0.00000000       0.07696662       0.50718667 1.0 
      0.00000000       0.10262216       0.50958222 1.0 
      0.00000000       0.12827770       0.51197778 1.0 
      0.00000000       0.15393324       0.51437333 1.0 
      0.00000000       0.17958878       0.51676889 1.0 
      0.00000000       0.20524432       0.51916444 1.0 
      0.00000000       0.23089987       0.52156000 1.0 
      0.00000000       0.25655541       0.52395555 1.0 
      0.00000000       0.28221095       0.52635111 1.0 
      0.00000000       0.30786649       0.52874666 1.0 
      0.00000000       0.33352203       0.53114222 1.0 
      0.00000000       0.35917757       0.53353777 1.0 
      0.00000000       0.38483311       0.53593333 1.0 
      0.00000000       0.41048865       0.53832888 1.0 
      0.00000000       0.43614419       0.54072444 1.0 
      0.00000000       0.46179973       0.54311999 1.0 
      0.00000000       0.48745527       0.54551555 1.0 
      0.00000000       0.48745527       0.54551555 1.0 
      0.00000000       0.49372764       0.52275777 1.0 
      0.00000000       0.50000000       0.50000000 1.0 
      0.00000000       0.50000000       0.50000000 1.0 
      0.02272727       0.50000000       0.50000000 1.0 
      0.04545455       0.50000000       0.50000000 1.0 
      0.06818182       0.50000000       0.50000000 1.0 
      0.09090909       0.50000000       0.50000000 1.0 
      0.11363636       0.50000000       0.50000000 1.0 
      0.13636364       0.50000000       0.50000000 1.0 
      0.15909091       0.50000000       0.50000000 1.0 
      0.18181818       0.50000000       0.50000000 1.0 
      0.20454545       0.50000000       0.50000000 1.0 
      0.22727273       0.50000000       0.50000000 1.0 
      0.25000000       0.50000000       0.50000000 1.0 
      0.27272727       0.50000000       0.50000000 1.0 
      0.29545455       0.50000000       0.50000000 1.0 
      0.31818182       0.50000000       0.50000000 1.0 
      0.34090909       0.50000000       0.50000000 1.0 
      0.36363636       0.50000000       0.50000000 1.0 
      0.38636364       0.50000000       0.50000000 1.0 
      0.40909091       0.50000000       0.50000000 1.0 
      0.43181818       0.50000000       0.50000000 1.0 
      0.45454545       0.50000000       0.50000000 1.0 
      0.47727273       0.50000000       0.50000000 1.0 
      0.50000000       0.50000000       0.50000000 1.0 
      0.50000000       0.50000000       0.50000000 1.0 
      0.50000000       0.50627236       0.47724223 1.0 
      0.50000000       0.51254473       0.45448445 1.0 
      0.50000000       0.51254473       0.45448445 1.0 
      0.50000000       0.51129026       0.40903601 1.0 
      0.50000000       0.51003578       0.36358756 1.0 
      0.50000000       0.50878131       0.31813912 1.0 
      0.50000000       0.50752684       0.27269067 1.0 
      0.50000000       0.50627236       0.22724223 1.0 
      0.50000000       0.50501789       0.18179378 1.0 
      0.50000000       0.50376342       0.13634534 1.0 
      0.50000000       0.50250895       0.09089689 1.0 
      0.50000000       0.50125447       0.04544845 1.0 
      0.50000000       0.50000000       0.00000000 1.0 
      0.50000000       0.50000000       0.00000000 1.0 
      0.47727273       0.50000000       0.00000000 1.0 
      0.45454545       0.50000000       0.00000000 1.0 
      0.43181818       0.50000000       0.00000000 1.0 
      0.40909091       0.50000000       0.00000000 1.0 
      0.38636364       0.50000000       0.00000000 1.0 
      0.36363636       0.50000000       0.00000000 1.0 
      0.34090909       0.50000000       0.00000000 1.0 
      0.31818182       0.50000000       0.00000000 1.0 
      0.29545455       0.50000000       0.00000000 1.0 
      0.27272727       0.50000000       0.00000000 1.0 
      0.25000000       0.50000000       0.00000000 1.0 
      0.22727273       0.50000000       0.00000000 1.0 
      0.20454545       0.50000000       0.00000000 1.0 
      0.18181818       0.50000000       0.00000000 1.0 
      0.15909091       0.50000000       0.00000000 1.0 
      0.13636364       0.50000000       0.00000000 1.0 
      0.11363636       0.50000000       0.00000000 1.0 
      0.09090909       0.50000000       0.00000000 1.0 
      0.06818182       0.50000000       0.00000000 1.0 
      0.04545455       0.50000000       0.00000000 1.0 
      0.02272727       0.50000000       0.00000000 1.0 
      0.00000000       0.50000000       0.00000000 1.0 
      0.00000000       0.50000000       0.00000000 1.0 
      0.00000000       0.50125447       0.04544845 1.0 
      0.00000000       0.50250895       0.09089689 1.0 
      0.00000000       0.50376342       0.13634534 1.0 
      0.00000000       0.50501789       0.18179378 1.0 
      0.00000000       0.50627236       0.22724223 1.0 
      0.00000000       0.50752684       0.27269067 1.0 
      0.00000000       0.50878131       0.31813912 1.0 
      0.00000000       0.51003578       0.36358756 1.0 
      0.00000000       0.51129026       0.40903601 1.0 
      0.00000000       0.51254473       0.45448445 1.0 
      0.50000000       0.48745527       0.54551555 1.0 
      0.50000000       0.46179973       0.54311999 1.0 
      0.50000000       0.43614419       0.54072444 1.0 
      0.50000000       0.41048865       0.53832888 1.0 
      0.50000000       0.38483311       0.53593333 1.0 
      0.50000000       0.35917757       0.53353777 1.0 
      0.50000000       0.33352203       0.53114222 1.0 
      0.50000000       0.30786649       0.52874666 1.0 
      0.50000000       0.28221095       0.52635111 1.0 
      0.50000000       0.25655541       0.52395555 1.0 
      0.50000000       0.23089987       0.52156000 1.0 
      0.50000000       0.20524432       0.51916444 1.0 
      0.50000000       0.17958878       0.51676889 1.0 
      0.50000000       0.15393324       0.51437333 1.0 
      0.50000000       0.12827770       0.51197778 1.0 
      0.50000000       0.10262216       0.50958222 1.0 
      0.50000000       0.07696662       0.50718667 1.0 
      0.50000000       0.05131108       0.50479111 1.0 
      0.50000000       0.02565554       0.50239556 1.0 
      0.50000000       0.00000000       0.50000000 1.0 
      0.50000000       0.00000000       0.50000000 1.0 
      0.50000000       0.00000000       0.45454545 1.0 
      0.50000000       0.00000000       0.40909091 1.0 
      0.50000000       0.00000000       0.36363636 1.0 
      0.50000000       0.00000000       0.31818182 1.0 
      0.50000000       0.00000000       0.27272727 1.0 
      0.50000000       0.00000000       0.22727273 1.0 
      0.50000000       0.00000000       0.18181818 1.0 
      0.50000000       0.00000000       0.13636364 1.0 
      0.50000000       0.00000000       0.09090909 1.0 
      0.50000000       0.00000000       0.04545455 1.0 
      0.50000000       0.00000000       0.00000000 1.0 
      0.00000000       0.00000000       0.50000000 1.0 
      0.02272727       0.00000000       0.50000000 1.0 
      0.04545455       0.00000000       0.50000000 1.0 
      0.06818182       0.00000000       0.50000000 1.0 
      0.09090909       0.00000000       0.50000000 1.0 
      0.11363636       0.00000000       0.50000000 1.0 
      0.13636364       0.00000000       0.50000000 1.0 
      0.15909091       0.00000000       0.50000000 1.0 
      0.18181818       0.00000000       0.50000000 1.0 
      0.20454545       0.00000000       0.50000000 1.0 
      0.22727273       0.00000000       0.50000000 1.0 
      0.25000000       0.00000000       0.50000000 1.0 
      0.27272727       0.00000000       0.50000000 1.0 
      0.29545455       0.00000000       0.50000000 1.0 
      0.31818182       0.00000000       0.50000000 1.0 
      0.34090909       0.00000000       0.50000000 1.0 
      0.36363636       0.00000000       0.50000000 1.0 
      0.38636364       0.00000000       0.50000000 1.0 
      0.40909091       0.00000000       0.50000000 1.0 
      0.43181818       0.00000000       0.50000000 1.0 
      0.45454545       0.00000000       0.50000000 1.0 
      0.47727273       0.00000000       0.50000000 1.0 
      0.50000000       0.00000000       0.50000000 1.0 

