! Pwscf input file created with ciftopw.py 
! Compound: Ba3InSe4Cl
&control
         calculation     = 'bands'
         prefix          = 'Ba3InSe4Cl'
         restart_mode    = 'from_scratch'
         outdir          = './'
         wf_collect      = .true.
         verbosity       = 'high'
       /
&system
         ibrav           =  14
         celldm(1)       =           18.2033480036142343
         celldm(2)       =            1.0000000000000000
         celldm(3)       =            1.0000000000000000
         celldm(4)       =           -0.6074154158243406
         celldm(5)       =           -0.6074154158243406
         celldm(6)       =            0.2148308316486815
         nat             =       18
         ntyp            =        4
         ecutwfc         =       46.00000000
         ecutrho         =      224.00000000
         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
Ba 137.3270 Ba.rel-pbe-spn-rrkjus_psl.1.0.0.UPF 
In 114.8180 In.rel-pbe-dn-rrkjus_psl.1.0.0.UPF 
Se  78.9600 Se.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
Cl  35.4530 Cl.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
ATOMIC_POSITIONS crystal
K_POINTS crystal
194
      0.00000000       0.00000000       0.00000000 1.0 
      0.00000000       0.00000000       0.01851852 1.0 
      0.00000000       0.00000000       0.03703704 1.0 
      0.00000000       0.00000000       0.05555556 1.0 
      0.00000000       0.00000000       0.07407407 1.0 
      0.00000000       0.00000000       0.09259259 1.0 
      0.00000000       0.00000000       0.11111111 1.0 
      0.00000000       0.00000000       0.12962963 1.0 
      0.00000000       0.00000000       0.14814815 1.0 
      0.00000000       0.00000000       0.16666667 1.0 
      0.00000000       0.00000000       0.18518519 1.0 
      0.00000000       0.00000000       0.20370370 1.0 
      0.00000000       0.00000000       0.22222222 1.0 
      0.00000000       0.00000000       0.24074074 1.0 
      0.00000000       0.00000000       0.25925926 1.0 
      0.00000000       0.00000000       0.27777778 1.0 
      0.00000000       0.00000000       0.29629630 1.0 
      0.00000000       0.00000000       0.31481481 1.0 
      0.00000000       0.00000000       0.33333333 1.0 
      0.00000000       0.00000000       0.35185185 1.0 
      0.00000000       0.00000000       0.37037037 1.0 
      0.00000000       0.00000000       0.38888889 1.0 
      0.00000000       0.00000000       0.40740741 1.0 
     -0.00000000       0.00000000       0.42592593 1.0 
      0.00000000       0.00000000       0.44444444 1.0 
      0.00000000       0.00000000       0.46296296 1.0 
      0.00000000       0.00000000       0.48148148 1.0 
      0.00000000       0.00000000       0.50000000 1.0 
      0.00000000       0.00000000       0.50000000 1.0 
     -0.01795333       0.01795333       0.50000000 1.0 
     -0.03590665       0.03590665       0.50000000 1.0 
     -0.05385998       0.05385998       0.50000000 1.0 
     -0.07181331       0.07181331       0.50000000 1.0 
     -0.08976663       0.08976663       0.50000000 1.0 
     -0.10771996       0.10771996       0.50000000 1.0 
     -0.12567329       0.12567329       0.50000000 1.0 
     -0.14362661       0.14362661       0.50000000 1.0 
     -0.16157994       0.16157994       0.50000000 1.0 
     -0.16157994       0.16157994       0.50000000 1.0 
     -0.17459610       0.17459610       0.48698384 1.0 
     -0.18761225       0.18761225       0.47396769 1.0 
     -0.20062841       0.20062841       0.46095153 1.0 
     -0.21364456       0.21364456       0.44793538 1.0 
     -0.22666072       0.22666072       0.43491922 1.0 
     -0.23967688       0.23967688       0.42190306 1.0 
     -0.25269303       0.25269303       0.40888691 1.0 
     -0.26570919       0.26570919       0.39587075 1.0 
     -0.27872534       0.27872534       0.38285459 1.0 
     -0.29174150       0.29174150       0.36983844 1.0 
     -0.30475766       0.30475766       0.35682228 1.0 
     -0.31777381       0.31777381       0.34380613 1.0 
     -0.33078997       0.33078997       0.33078997 1.0 
     -0.33078997       0.33078997       0.33078997 1.0 
     -0.31755837       0.31755837       0.31755837 1.0 
     -0.30432677       0.30432677       0.30432677 1.0 
     -0.29109517       0.29109517       0.29109517 1.0 
     -0.27786357       0.27786357       0.27786357 1.0 
     -0.26463198       0.26463198       0.26463198 1.0 
     -0.25140038       0.25140038       0.25140038 1.0 
     -0.23816878       0.23816878       0.23816878 1.0 
     -0.22493718       0.22493718       0.22493718 1.0 
     -0.21170558       0.21170558       0.21170558 1.0 
     -0.19847398       0.19847398       0.19847398 1.0 
     -0.18524238       0.18524238       0.18524238 1.0 
     -0.17201078       0.17201078       0.17201078 1.0 
     -0.15877919       0.15877919       0.15877919 1.0 
     -0.14554759       0.14554759       0.14554759 1.0 
     -0.13231599       0.13231599       0.13231599 1.0 
     -0.11908439       0.11908439       0.11908439 1.0 
     -0.10585279       0.10585279       0.10585279 1.0 
     -0.09262119       0.09262119       0.09262119 1.0 
     -0.07938959       0.07938959       0.07938959 1.0 
     -0.06615799       0.06615799       0.06615799 1.0 
     -0.05292640       0.05292640       0.05292640 1.0 
     -0.03969480       0.03969480       0.03969480 1.0 
     -0.02646320       0.02646320       0.02646320 1.0 
     -0.01323160       0.01323160       0.01323160 1.0 
      0.00000000       0.00000000       0.00000000 1.0 
      0.00000000       0.00000000       0.00000000 1.0 
      0.02380952       0.02380952      -0.02380952 1.0 
      0.04761905       0.04761905      -0.04761905 1.0 
      0.07142857       0.07142857      -0.07142857 1.0 
      0.09523810       0.09523810      -0.09523810 1.0 
      0.11904762       0.11904762      -0.11904762 1.0 
      0.14285714       0.14285714      -0.14285714 1.0 
      0.16666667       0.16666667      -0.16666667 1.0 
      0.19047619       0.19047619      -0.19047619 1.0 
      0.21428571       0.21428571      -0.21428571 1.0 
      0.23809524       0.23809524      -0.23809524 1.0 
      0.26190476       0.26190476      -0.26190476 1.0 
      0.28571429       0.28571429      -0.28571429 1.0 
      0.30952381       0.30952381      -0.30952381 1.0 
      0.33333333       0.33333333      -0.33333333 1.0 
      0.35714286       0.35714286      -0.35714286 1.0 
      0.38095238       0.38095238      -0.38095238 1.0 
      0.40476190       0.40476190      -0.40476190 1.0 
      0.42857143       0.42857143      -0.42857143 1.0 
      0.45238095       0.45238095      -0.45238095 1.0 
      0.47619048       0.47619048      -0.47619048 1.0 
      0.50000000       0.50000000      -0.50000000 1.0 
      0.50000000       0.50000000      -0.50000000 1.0 
      0.48698384       0.51301616      -0.48698384 1.0 
      0.47396769       0.52603231      -0.47396769 1.0 
      0.46095153       0.53904847      -0.46095153 1.0 
      0.44793538       0.55206462      -0.44793538 1.0 
      0.43491922       0.56508078      -0.43491922 1.0 
      0.42190306       0.57809694      -0.42190306 1.0 
      0.40888691       0.59111309      -0.40888691 1.0 
      0.39587075       0.60412925      -0.39587075 1.0 
      0.38285459       0.61714541      -0.38285459 1.0 
      0.36983844       0.63016156      -0.36983844 1.0 
      0.35682228       0.64317772      -0.35682228 1.0 
      0.34380613       0.65619387      -0.34380613 1.0 
      0.33078997       0.66921003      -0.33078997 1.0 
      0.33078997       0.66921003      -0.33078997 1.0 
      0.30534459       0.65619387      -0.30534459 1.0 
      0.27989921       0.64317772      -0.27989921 1.0 
      0.25445382       0.63016156      -0.25445382 1.0 
      0.22900844       0.61714541      -0.22900844 1.0 
      0.20356306       0.60412925      -0.20356306 1.0 
      0.17811768       0.59111309      -0.17811768 1.0 
      0.15267229       0.57809694      -0.15267229 1.0 
      0.12722691       0.56508078      -0.12722691 1.0 
      0.10178153       0.55206462      -0.10178153 1.0 
      0.07633615       0.53904847      -0.07633615 1.0 
      0.05089076       0.52603231      -0.05089076 1.0 
      0.02544538       0.51301616      -0.02544538 1.0 
      0.00000000       0.50000000      -0.00000000 1.0 
      0.00000000       0.50000000      -0.00000000 1.0 
      0.01315789       0.48684211       0.01315789 1.0 
      0.02631579       0.47368421       0.02631579 1.0 
      0.03947368       0.46052632       0.03947368 1.0 
      0.05263158       0.44736842       0.05263158 1.0 
      0.06578947       0.43421053       0.06578947 1.0 
      0.07894737       0.42105263       0.07894737 1.0 
      0.09210526       0.40789474       0.09210526 1.0 
      0.10526316       0.39473684       0.10526316 1.0 
      0.11842105       0.38157895       0.11842105 1.0 
      0.13157895       0.36842105       0.13157895 1.0 
      0.14473684       0.35526316       0.14473684 1.0 
      0.15789474       0.34210526       0.15789474 1.0 
      0.17105263       0.32894737       0.17105263 1.0 
      0.18421053       0.31578947       0.18421053 1.0 
      0.19736842       0.30263158       0.19736842 1.0 
      0.21052632       0.28947368       0.21052632 1.0 
      0.22368421       0.27631579       0.22368421 1.0 
      0.23684211       0.26315789       0.23684211 1.0 
      0.25000000       0.25000000       0.25000000 1.0 
      0.25000000       0.25000000       0.25000000 1.0 
      0.26785714       0.26785714       0.22060143 1.0 
      0.28571429       0.28571429       0.19120287 1.0 
      0.30357143       0.30357143       0.16180430 1.0 
      0.32142857       0.32142857       0.13240573 1.0 
      0.33928571       0.33928571       0.10300716 1.0 
      0.35714286       0.35714286       0.07360860 1.0 
      0.37500000       0.37500000       0.04421003 1.0 
      0.39285714       0.39285714       0.01481146 1.0 
      0.41071429       0.41071429      -0.01458710 1.0 
      0.42857143       0.42857143      -0.04398567 1.0 
      0.44642857       0.44642857      -0.07338424 1.0 
      0.46428571       0.46428571      -0.10278281 1.0 
      0.48214286       0.48214286      -0.13218137 1.0 
      0.50000000       0.50000000      -0.16157994 1.0 
      0.50000000       0.50000000      -0.16157994 1.0 
      0.50000000       0.50000000      -0.18038105 1.0 
      0.50000000       0.50000000      -0.19918217 1.0 
      0.50000000       0.50000000      -0.21798328 1.0 
      0.50000000       0.50000000      -0.23678440 1.0 
      0.50000000       0.50000000      -0.25558551 1.0 
      0.50000000       0.50000000      -0.27438663 1.0 
      0.50000000       0.50000000      -0.29318774 1.0 
      0.50000000       0.50000000      -0.31198886 1.0 
      0.50000000       0.50000000      -0.33078997 1.0 
      0.50000000       0.50000000      -0.34959108 1.0 
      0.50000000       0.50000000      -0.36839220 1.0 
      0.50000000       0.50000000      -0.38719331 1.0 
      0.50000000       0.50000000      -0.40599443 1.0 
      0.50000000       0.50000000      -0.42479554 1.0 
      0.50000000       0.50000000      -0.44359666 1.0 
      0.50000000       0.50000000      -0.46239777 1.0 
      0.50000000       0.50000000      -0.48119889 1.0 
      0.50000000       0.50000000      -0.50000000 1.0 
      0.00000000       0.00000000       0.50000000 1.0 
      0.02272727       0.02272727       0.47727273 1.0 
      0.04545455       0.04545455       0.45454545 1.0 
      0.06818182       0.06818182       0.43181818 1.0 
      0.09090909       0.09090909       0.40909091 1.0 
      0.11363636       0.11363636       0.38636364 1.0 
      0.13636364       0.13636364       0.36363636 1.0 
      0.15909091       0.15909091       0.34090909 1.0 
      0.18181818       0.18181818       0.31818182 1.0 
      0.20454545       0.20454545       0.29545455 1.0 
      0.22727273       0.22727273       0.27272727 1.0 
      0.25000000       0.25000000       0.25000000 1.0 

