! Pwscf input file created with ciftopw.py 
! Compound: Ba5CrN5
&control
         calculation     = 'bands'
         prefix          = 'Ba5CrN5'
         restart_mode    = 'from_scratch'
         outdir          = './'
         wf_collect      = .true.
         verbosity       = 'high'
       /
&system
         ibrav           =  14
         celldm(1)       =           14.8854845198751189
         celldm(2)       =            1.0000000000000000
         celldm(3)       =            1.1904187986083545
         celldm(4)       =            0.2374685328876245
         celldm(5)       =            0.2374685328876245
         celldm(6)       =           -0.1047940769761492
         nat             =       22
         ntyp            =        3
         ecutwfc         =       80.00000000
         ecutrho         =      321.00000000
         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
Cr  51.9961 Cr.rel-pbe-oncvpsp.UPF 
Ba 137.3270 Ba.rel-pbe-spn-rrkjus_psl.1.0.0.UPF 
 N  14.0067 N.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
ATOMIC_POSITIONS crystal
K_POINTS crystal
213
      0.00000000       0.00000000       0.00000000 1.0 
      0.01616332       0.01616332       0.00456916 1.0 
      0.03232664       0.03232664       0.00913832 1.0 
      0.04848997       0.04848997       0.01370748 1.0 
      0.06465329       0.06465329       0.01827664 1.0 
      0.08081661       0.08081661       0.02284581 1.0 
      0.09697993       0.09697993       0.02741497 1.0 
      0.11314326       0.11314326       0.03198413 1.0 
      0.12930658       0.12930658       0.03655329 1.0 
      0.14546990       0.14546990       0.04112245 1.0 
      0.16163322       0.16163322       0.04569161 1.0 
      0.17779655       0.17779655       0.05026077 1.0 
      0.19395987       0.19395987       0.05482993 1.0 
      0.21012319       0.21012319       0.05939910 1.0 
      0.22628651       0.22628651       0.06396826 1.0 
      0.24244984       0.24244984       0.06853742 1.0 
      0.25861316       0.25861316       0.07310658 1.0 
      0.27477648       0.27477648       0.07767574 1.0 
      0.29093980       0.29093980       0.08224490 1.0 
      0.30710313       0.30710313       0.08681406 1.0 
      0.32326645       0.32326645       0.09138322 1.0 
      0.33942977       0.33942977       0.09595239 1.0 
      0.35559309       0.35559309       0.10052155 1.0 
      0.37175642       0.37175642       0.10509071 1.0 
      0.38791974       0.38791974       0.10965987 1.0 
      0.40408306       0.40408306       0.11422903 1.0 
      0.42024638       0.42024638       0.11879819 1.0 
      0.43640970       0.43640970       0.12336735 1.0 
      0.45257303       0.45257303       0.12793651 1.0 
      0.45257303       0.45257303       0.12793651 1.0 
      0.45815035       0.45815035       0.15589539 1.0 
      0.46372768       0.46372768       0.18385426 1.0 
      0.46930500       0.46930500       0.21181314 1.0 
      0.47488233       0.47488233       0.23977201 1.0 
      0.48045965       0.48045965       0.26773089 1.0 
      0.48603698       0.48603698       0.29568976 1.0 
      0.49161431       0.49161431       0.32364864 1.0 
      0.49719163       0.49719163       0.35160751 1.0 
      0.50276896       0.50276896       0.37956639 1.0 
      0.50834628       0.50834628       0.40752526 1.0 
      0.51392361       0.51392361       0.43548414 1.0 
      0.51950093       0.51950093       0.46344301 1.0 
      0.52507826       0.52507826       0.49140189 1.0 
      0.53065558       0.53065558       0.51936076 1.0 
      0.53065558       0.53065558       0.51936076 1.0 
      0.52024458       0.52024458       0.53383753 1.0 
      0.50983357       0.50983357       0.54831430 1.0 
      0.49942256       0.49942256       0.56279106 1.0 
      0.48901155       0.48901155       0.57726783 1.0 
      0.47860055       0.47860055       0.59174460 1.0 
      0.46818954       0.46818954       0.60622136 1.0 
      0.45777853       0.45777853       0.62069813 1.0 
      0.44736752       0.44736752       0.63517490 1.0 
      0.43695652       0.43695652       0.64965166 1.0 
      0.42654551       0.42654551       0.66412843 1.0 
      0.41613450       0.41613450       0.67860520 1.0 
      0.40572349       0.40572349       0.69308196 1.0 
      0.39531249       0.39531249       0.70755873 1.0 
      0.38490148       0.38490148       0.72203550 1.0 
      0.37449047       0.37449047       0.73651226 1.0 
      0.37449047       0.37449047       0.73651226 1.0 
      0.35820828       0.35820828       0.72622912 1.0 
      0.34192608       0.34192608       0.71594598 1.0 
      0.32564389       0.32564389       0.70566284 1.0 
      0.30936169       0.30936169       0.69537970 1.0 
      0.29307950       0.29307950       0.68509655 1.0 
      0.27679731       0.27679731       0.67481341 1.0 
      0.26051511       0.26051511       0.66453027 1.0 
      0.24423292       0.24423292       0.65424713 1.0 
      0.22795072       0.22795072       0.64396399 1.0 
      0.21166853       0.21166853       0.63368085 1.0 
      0.19538633       0.19538633       0.62339770 1.0 
      0.17910414       0.17910414       0.61311456 1.0 
      0.16282194       0.16282194       0.60283142 1.0 
      0.14653975       0.14653975       0.59254828 1.0 
      0.13025756       0.13025756       0.58226514 1.0 
      0.11397536       0.11397536       0.57198199 1.0 
      0.09769317       0.09769317       0.56169885 1.0 
      0.08141097       0.08141097       0.55141571 1.0 
      0.06512878       0.06512878       0.54113257 1.0 
      0.04884658       0.04884658       0.53084943 1.0 
      0.03256439       0.03256439       0.52056628 1.0 
      0.01628219       0.01628219       0.51028314 1.0 
      0.00000000       0.00000000       0.50000000 1.0 
      0.00000000       0.00000000       0.50000000 1.0 
      0.01851852      -0.01851852       0.50000000 1.0 
      0.03703704      -0.03703704       0.50000000 1.0 
      0.05555556      -0.05555556       0.50000000 1.0 
      0.07407407      -0.07407407       0.50000000 1.0 
      0.09259259      -0.09259259       0.50000000 1.0 
      0.11111111      -0.11111111       0.50000000 1.0 
      0.12962963      -0.12962963       0.50000000 1.0 
      0.14814815      -0.14814815       0.50000000 1.0 
      0.16666667      -0.16666667       0.50000000 1.0 
      0.18518519      -0.18518519       0.50000000 1.0 
      0.20370370      -0.20370370       0.50000000 1.0 
      0.22222222      -0.22222222       0.50000000 1.0 
      0.24074074      -0.24074074       0.50000000 1.0 
      0.25925926      -0.25925926       0.50000000 1.0 
      0.27777778      -0.27777778       0.50000000 1.0 
      0.29629630      -0.29629630       0.50000000 1.0 
      0.31481481      -0.31481481       0.50000000 1.0 
      0.33333333      -0.33333333       0.50000000 1.0 
      0.35185185      -0.35185185       0.50000000 1.0 
      0.37037037      -0.37037037       0.50000000 1.0 
      0.38888889      -0.38888889       0.50000000 1.0 
      0.40740741      -0.40740741       0.50000000 1.0 
      0.42592593      -0.42592593       0.50000000 1.0 
      0.44444444      -0.44444444       0.50000000 1.0 
      0.46296296      -0.46296296       0.50000000 1.0 
      0.48148148      -0.48148148       0.50000000 1.0 
      0.50000000      -0.50000000       0.50000000 1.0 
      0.50000000      -0.50000000       0.50000000 1.0 
      0.48467221      -0.51532779       0.49031962 1.0 
      0.46934442      -0.53065558       0.48063924 1.0 
      0.62550953      -0.37449047       0.26348774 1.0 
      0.61993220      -0.38006780       0.23552886 1.0 
      0.61435488      -0.38564512       0.20756999 1.0 
      0.60877755      -0.39122245       0.17961111 1.0 
      0.60320023      -0.39679977       0.15165224 1.0 
      0.59762290      -0.40237710       0.12369336 1.0 
      0.59204558      -0.40795442       0.09573449 1.0 
      0.58646825      -0.41353175       0.06777561 1.0 
      0.58089093      -0.41910907       0.03981674 1.0 
      0.57531360      -0.42468640       0.01185786 1.0 
      0.56973627      -0.43026373      -0.01610101 1.0 
      0.56415895      -0.43584105      -0.04405989 1.0 
      0.55858162      -0.44141838      -0.07201876 1.0 
      0.55300430      -0.44699570      -0.09997764 1.0 
      0.54742697      -0.45257303      -0.12793651 1.0 
      0.54742697      -0.45257303      -0.12793651 1.0 
      0.54065169      -0.45934831      -0.10965987 1.0 
      0.53387641      -0.46612359      -0.09138322 1.0 
      0.52710113      -0.47289887      -0.07310658 1.0 
      0.52032585      -0.47967415      -0.05482993 1.0 
      0.51355056      -0.48644944      -0.03655329 1.0 
      0.50677528      -0.49322472      -0.01827664 1.0 
      0.50000000      -0.50000000      -0.00000000 1.0 
      0.50000000      -0.50000000      -0.00000000 1.0 
      0.48148148      -0.48148148      -0.00000000 1.0 
      0.46296296      -0.46296296      -0.00000000 1.0 
      0.44444444      -0.44444444      -0.00000000 1.0 
      0.42592593      -0.42592593      -0.00000000 1.0 
      0.40740741      -0.40740741      -0.00000000 1.0 
      0.38888889      -0.38888889      -0.00000000 1.0 
      0.37037037      -0.37037037      -0.00000000 1.0 
      0.35185185      -0.35185185      -0.00000000 1.0 
      0.33333333      -0.33333333      -0.00000000 1.0 
      0.31481481      -0.31481481      -0.00000000 1.0 
      0.29629630      -0.29629630      -0.00000000 1.0 
      0.27777778      -0.27777778      -0.00000000 1.0 
      0.25925926      -0.25925926      -0.00000000 1.0 
      0.24074074      -0.24074074      -0.00000000 1.0 
      0.22222222      -0.22222222      -0.00000000 1.0 
      0.20370370      -0.20370370      -0.00000000 1.0 
      0.18518519      -0.18518519      -0.00000000 1.0 
      0.16666667      -0.16666667      -0.00000000 1.0 
      0.14814815      -0.14814815      -0.00000000 1.0 
      0.12962963      -0.12962963      -0.00000000 1.0 
      0.11111111      -0.11111111      -0.00000000 1.0 
      0.09259259      -0.09259259      -0.00000000 1.0 
      0.07407407      -0.07407407      -0.00000000 1.0 
      0.05555556      -0.05555556      -0.00000000 1.0 
      0.03703704      -0.03703704      -0.00000000 1.0 
      0.01851852      -0.01851852      -0.00000000 1.0 
      0.00000000       0.00000000       0.00000000 1.0 
      0.00000000       0.00000000       0.00000000 1.0 
      0.02380952       0.00000000      -0.00000000 1.0 
      0.04761905       0.00000000      -0.00000000 1.0 
      0.07142857       0.00000000       0.00000000 1.0 
      0.09523810       0.00000000      -0.00000000 1.0 
      0.11904762       0.00000000      -0.00000000 1.0 
      0.14285714       0.00000000       0.00000000 1.0 
      0.16666667       0.00000000       0.00000000 1.0 
      0.19047619       0.00000000      -0.00000000 1.0 
      0.21428571       0.00000000       0.00000000 1.0 
      0.23809524       0.00000000      -0.00000000 1.0 
      0.26190476       0.00000000       0.00000000 1.0 
      0.28571429       0.00000000       0.00000000 1.0 
      0.30952381       0.00000000       0.00000000 1.0 
      0.33333333       0.00000000       0.00000000 1.0 
      0.35714286       0.00000000       0.00000000 1.0 
      0.38095238       0.00000000      -0.00000000 1.0 
      0.40476190       0.00000000      -0.00000000 1.0 
      0.42857143       0.00000000       0.00000000 1.0 
      0.45238095       0.00000000       0.00000000 1.0 
      0.47619048       0.00000000      -0.00000000 1.0 
      0.50000000       0.00000000       0.00000000 1.0 
      0.50000000       0.00000000       0.50000000 1.0 
      0.47916667       0.00000000       0.47916667 1.0 
      0.45833333       0.00000000       0.45833333 1.0 
      0.43750000       0.00000000       0.43750000 1.0 
      0.41666667       0.00000000       0.41666667 1.0 
      0.39583333       0.00000000       0.39583333 1.0 
      0.37500000       0.00000000       0.37500000 1.0 
      0.35416667       0.00000000       0.35416667 1.0 
      0.33333333       0.00000000       0.33333333 1.0 
      0.31250000       0.00000000       0.31250000 1.0 
      0.29166667      -0.00000000       0.29166667 1.0 
      0.27083333       0.00000000       0.27083333 1.0 
      0.25000000       0.00000000       0.25000000 1.0 
      0.22916667       0.00000000       0.22916667 1.0 
      0.20833333       0.00000000       0.20833333 1.0 
      0.18750000       0.00000000       0.18750000 1.0 
      0.16666667       0.00000000       0.16666667 1.0 
      0.14583333      -0.00000000       0.14583333 1.0 
      0.12500000       0.00000000       0.12500000 1.0 
      0.10416667       0.00000000       0.10416667 1.0 
      0.08333333       0.00000000       0.08333333 1.0 
      0.06250000       0.00000000       0.06250000 1.0 
      0.04166667       0.00000000       0.04166667 1.0 
      0.02083333      -0.00000000       0.02083333 1.0 
      0.00000000       0.00000000       0.00000000 1.0 

