! Pwscf input file created with ciftopw.py 
! Compound: Na3YCl6
&control
         calculation     = 'bands'
         prefix          = 'Na3YCl6'
         restart_mode    = 'from_scratch'
         outdir          = './'
         wf_collect      = .true.
         verbosity       = 'high'
       /
&system
         ibrav           =  14
         celldm(1)       =           13.7099620501949993
         celldm(2)       =            0.9449758787043420
         celldm(3)       =            1.6757208214212982
         celldm(4)       =            0.5512668608984009
         celldm(5)       =            0.0000000000000001
         celldm(6)       =            0.0000000000000001
         nat             =       20
         ntyp            =        3
         ecutwfc         =       67.00000000
         ecutrho         =      324.00000000
         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
Cl  35.4530 Cl.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
Na  22.9898 Na.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF 
 Y  88.9059 Y.rel-pbe-spn-rrkjus_psl.1.0.0.UPF 
ATOMIC_POSITIONS crystal
K_POINTS crystal
189
      0.00000000       0.00000000       0.00000000 1.0 
      0.00000000       0.00000000       0.03125000 1.0 
      0.00000000       0.00000000       0.06250000 1.0 
      0.00000000       0.00000000       0.09375000 1.0 
      0.00000000       0.00000000       0.12500000 1.0 
      0.00000000       0.00000000       0.15625000 1.0 
      0.00000000       0.00000000       0.18750000 1.0 
      0.00000000       0.00000000       0.21875000 1.0 
      0.00000000       0.00000000       0.25000000 1.0 
      0.00000000       0.00000000       0.28125000 1.0 
      0.00000000       0.00000000       0.31250000 1.0 
      0.00000000       0.00000000       0.34375000 1.0 
      0.00000000       0.00000000       0.37500000 1.0 
      0.00000000       0.00000000       0.40625000 1.0 
      0.00000000       0.00000000       0.43750000 1.0 
      0.00000000       0.00000000       0.46875000 1.0 
      0.00000000       0.00000000       0.50000000 1.0 
      0.00000000       0.00000000       0.50000000 1.0 
      0.00000000       0.02152126       0.52103829 1.0 
      0.00000000       0.04304252       0.54207659 1.0 
      0.00000000       0.06456378       0.56311488 1.0 
      0.00000000       0.08608504       0.58415318 1.0 
      0.00000000       0.10760630       0.60519147 1.0 
      0.00000000       0.12912756       0.62622977 1.0 
      0.00000000       0.15064882       0.64726806 1.0 
      0.00000000       0.17217008       0.66830636 1.0 
      0.00000000       0.19369135       0.68934465 1.0 
      0.00000000       0.21521261       0.71038295 1.0 
      0.00000000       0.23673387       0.73142124 1.0 
      0.00000000       0.25825513       0.75245954 1.0 
      0.00000000       0.27977639       0.77349783 1.0 
      0.00000000       0.30129765       0.79453613 1.0 
      0.00000000       0.32281891       0.81557442 1.0 
      0.00000000       0.34434017       0.83661272 1.0 
      0.00000000       0.36586143       0.85765101 1.0 
      0.00000000       0.38738269       0.87868930 1.0 
      0.00000000       0.40890395       0.89972760 1.0 
      0.00000000       0.43042521       0.92076589 1.0 
      0.00000000       0.45194647       0.94180419 1.0 
      0.00000000       0.47346773       0.96284248 1.0 
      0.00000000       0.49498899       0.98388078 1.0 
      0.00000000       0.49498899       0.98388078 1.0 
      0.00000000       0.49530218       0.95363823 1.0 
      0.00000000       0.49561537       0.92339568 1.0 
      0.00000000       0.49592856       0.89315313 1.0 
      0.00000000       0.49624174       0.86291058 1.0 
      0.00000000       0.49655493       0.83266804 1.0 
      0.00000000       0.49686812       0.80242549 1.0 
      0.00000000       0.49718131       0.77218294 1.0 
      0.00000000       0.49749450       0.74194039 1.0 
      0.00000000       0.49780768       0.71169784 1.0 
      0.00000000       0.49812087       0.68145529 1.0 
      0.00000000       0.49843406       0.65121274 1.0 
      0.00000000       0.49874725       0.62097019 1.0 
      0.00000000       0.49906044       0.59072765 1.0 
      0.00000000       0.49937362       0.56048510 1.0 
      0.00000000       0.49968681       0.53024255 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       0.50031319       0.46975745 1.0 
      0.50000000       0.50062638       0.43951490 1.0 
      0.50000000       0.50093956       0.40927235 1.0 
      0.50000000       0.50125275       0.37902981 1.0 
      0.50000000       0.50156594       0.34878726 1.0 
      0.50000000       0.50187913       0.31854471 1.0 
      0.50000000       0.50219232       0.28830216 1.0 
      0.50000000       0.50250550       0.25805961 1.0 
      0.50000000       0.50281869       0.22781706 1.0 
      0.50000000       0.50313188       0.19757451 1.0 
      0.50000000       0.50344507       0.16733196 1.0 
      0.50000000       0.50375826       0.13708942 1.0 
      0.50000000       0.50407144       0.10684687 1.0 
      0.50000000       0.50438463       0.07660432 1.0 
      0.50000000       0.50469782       0.04636177 1.0 
      0.50000000       0.50501101       0.01611922 1.0 
      0.50000000       0.50501101       0.01611922 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       0.50501101       0.01611922 1.0 
      0.50000000       0.49498899       0.98388078 1.0 
      0.50000000       0.47346773       0.96284248 1.0 
      0.50000000       0.45194647       0.94180419 1.0 
      0.50000000       0.43042521       0.92076589 1.0 
      0.50000000       0.40890395       0.89972760 1.0 
      0.50000000       0.38738269       0.87868930 1.0 
      0.50000000       0.36586143       0.85765101 1.0 
      0.50000000       0.34434017       0.83661272 1.0 
      0.50000000       0.32281891       0.81557442 1.0 
      0.50000000       0.30129765       0.79453613 1.0 
      0.50000000       0.27977639       0.77349783 1.0 
      0.50000000       0.25825513       0.75245954 1.0 
      0.50000000       0.23673387       0.73142124 1.0 
      0.50000000       0.21521261       0.71038295 1.0 
      0.50000000       0.19369135       0.68934465 1.0 
      0.50000000       0.17217008       0.66830636 1.0 
      0.50000000       0.15064882       0.64726806 1.0 
      0.50000000       0.12912756       0.62622977 1.0 
      0.50000000       0.10760630       0.60519147 1.0 
      0.50000000       0.08608504       0.58415318 1.0 
      0.50000000       0.06456378       0.56311488 1.0 
      0.50000000       0.04304252       0.54207659 1.0 
      0.50000000       0.02152126       0.52103829 1.0 
      0.50000000       0.00000000       0.50000000 1.0 
      0.50000000       0.00000000       0.50000000 1.0 
      0.50000000       0.00000000       0.46875000 1.0 
      0.50000000       0.00000000       0.43750000 1.0 
      0.50000000       0.00000000       0.40625000 1.0 
      0.50000000       0.00000000       0.37500000 1.0 
      0.50000000       0.00000000       0.34375000 1.0 
      0.50000000       0.00000000       0.31250000 1.0 
      0.50000000       0.00000000       0.28125000 1.0 
      0.50000000       0.00000000       0.25000000 1.0 
      0.50000000       0.00000000       0.21875000 1.0 
      0.50000000       0.00000000       0.18750000 1.0 
      0.50000000       0.00000000       0.15625000 1.0 
      0.50000000       0.00000000       0.12500000 1.0 
      0.50000000       0.00000000       0.09375000 1.0 
      0.50000000       0.00000000       0.06250000 1.0 
      0.50000000       0.00000000       0.03125000 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 

