! Pwscf input file created with ciftopw.py 
! Compound: BaY2NiO5
&control
         calculation     = 'bands'
         prefix          = 'BaY2NiO5'
         restart_mode    = 'from_scratch'
         outdir          = './'
         wf_collect      = .true.
         verbosity       = 'high'
       /
&system
         ibrav           =  14
         celldm(1)       =           12.5146540690219226
         celldm(2)       =            1.0000000000000000
         celldm(3)       =            1.0000000000000002
         celldm(4)       =           -0.8387362909535527
         celldm(5)       =           -0.6213199455427566
         celldm(6)       =            0.4600562364963100
         nat             =        9
         ntyp            =        4
         ecutwfc         =       47.00000000
         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
Ba 137.3270 Ba.rel-pbe-spn-rrkjus_psl.1.0.0.UPF 
 O  15.9994 O.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
Ni  58.6934 Ni.rel-pbe-n-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
365
      0.00000000       0.00000000       0.00000000 1.0 
     -0.00590665       0.00590665       0.00590665 1.0 
     -0.01181330       0.01181330       0.01181330 1.0 
     -0.01771995       0.01771995       0.01771995 1.0 
     -0.02362660       0.02362660       0.02362660 1.0 
     -0.02953325       0.02953325       0.02953325 1.0 
     -0.03543990       0.03543990       0.03543990 1.0 
     -0.04134656       0.04134656       0.04134656 1.0 
     -0.04725321       0.04725321       0.04725321 1.0 
     -0.05315986       0.05315986       0.05315986 1.0 
     -0.05906651       0.05906651       0.05906651 1.0 
     -0.06497316       0.06497316       0.06497316 1.0 
     -0.07087981       0.07087981       0.07087981 1.0 
     -0.07678646       0.07678646       0.07678646 1.0 
     -0.08269311       0.08269311       0.08269311 1.0 
     -0.08859976       0.08859976       0.08859976 1.0 
     -0.09450641       0.09450641       0.09450641 1.0 
     -0.10041306       0.10041306       0.10041306 1.0 
     -0.10631971       0.10631971       0.10631971 1.0 
     -0.11222636       0.11222636       0.11222636 1.0 
     -0.11813301       0.11813301       0.11813301 1.0 
     -0.12403967       0.12403967       0.12403967 1.0 
     -0.12994632       0.12994632       0.12994632 1.0 
     -0.13585297       0.13585297       0.13585297 1.0 
     -0.14175962       0.14175962       0.14175962 1.0 
     -0.14766627       0.14766627       0.14766627 1.0 
     -0.15357292       0.15357292       0.15357292 1.0 
     -0.15947957       0.15947957       0.15947957 1.0 
     -0.16538622       0.16538622       0.16538622 1.0 
     -0.17129287       0.17129287       0.17129287 1.0 
     -0.17719952       0.17719952       0.17719952 1.0 
     -0.18310617       0.18310617       0.18310617 1.0 
     -0.18901282       0.18901282       0.18901282 1.0 
     -0.19491947       0.19491947       0.19491947 1.0 
     -0.20082613       0.20082613       0.20082613 1.0 
     -0.20673278       0.20673278       0.20673278 1.0 
     -0.21263943       0.21263943       0.21263943 1.0 
     -0.21854608       0.21854608       0.21854608 1.0 
     -0.22445273       0.22445273       0.22445273 1.0 
     -0.23035938       0.23035938       0.23035938 1.0 
     -0.23626603       0.23626603       0.23626603 1.0 
     -0.24217268       0.24217268       0.24217268 1.0 
     -0.24807933       0.24807933       0.24807933 1.0 
     -0.25398598       0.25398598       0.25398598 1.0 
     -0.25989263       0.25989263       0.25989263 1.0 
     -0.26579928       0.26579928       0.26579928 1.0 
     -0.27170593       0.27170593       0.27170593 1.0 
     -0.27761259       0.27761259       0.27761259 1.0 
     -0.27761259       0.27761259       0.27761259 1.0 
     -0.26879544       0.26879544       0.28642973 1.0 
     -0.25997830       0.25997830       0.29524687 1.0 
     -0.25116115       0.25116115       0.30406402 1.0 
     -0.24234401       0.24234401       0.31288116 1.0 
     -0.23352687       0.23352687       0.32169830 1.0 
     -0.22470972       0.22470972       0.33051545 1.0 
     -0.21589258       0.21589258       0.33933259 1.0 
     -0.20707543       0.20707543       0.34814974 1.0 
     -0.19825829       0.19825829       0.35696688 1.0 
     -0.18944115       0.18944115       0.36578402 1.0 
     -0.18062400       0.18062400       0.37460117 1.0 
     -0.17180686       0.17180686       0.38341831 1.0 
     -0.16298971       0.16298971       0.39223546 1.0 
     -0.15417257       0.15417257       0.40105260 1.0 
     -0.14535543       0.14535543       0.40986974 1.0 
     -0.13653828       0.13653828       0.41868689 1.0 
     -0.12772114       0.12772114       0.42750403 1.0 
     -0.11890399       0.11890399       0.43632118 1.0 
     -0.11008685       0.11008685       0.44513832 1.0 
     -0.10126971       0.10126971       0.45395546 1.0 
     -0.09245256       0.09245256       0.46277261 1.0 
     -0.09245256       0.09245256       0.46277261 1.0 
     -0.08218006       0.08218006       0.46690898 1.0 
     -0.07190755       0.07190755       0.47104536 1.0 
     -0.06163504       0.06163504       0.47518174 1.0 
     -0.05136253       0.05136253       0.47931812 1.0 
     -0.04109003       0.04109003       0.48345449 1.0 
     -0.03081752       0.03081752       0.48759087 1.0 
     -0.02054501       0.02054501       0.49172725 1.0 
     -0.01027251       0.01027251       0.49586362 1.0 
     -0.00000000       0.00000000       0.50000000 1.0 
     -0.00000000       0.00000000       0.50000000 1.0 
      0.01785714       0.01785714       0.48214286 1.0 
      0.03571429       0.03571429       0.46428571 1.0 
      0.05357143       0.05357143       0.44642857 1.0 
      0.07142857       0.07142857       0.42857143 1.0 
      0.08928571       0.08928571       0.41071429 1.0 
      0.10714286       0.10714286       0.39285714 1.0 
      0.12500000       0.12500000       0.37500000 1.0 
      0.14285714       0.14285714       0.35714286 1.0 
      0.16071429       0.16071429       0.33928571 1.0 
      0.17857143       0.17857143       0.32142857 1.0 
      0.19642857       0.19642857       0.30357143 1.0 
      0.21428571       0.21428571       0.28571429 1.0 
      0.23214286       0.23214286       0.26785714 1.0 
      0.25000000       0.25000000       0.25000000 1.0 
      0.25000000       0.25000000       0.25000000 1.0 
      0.24107143       0.25892857       0.24107143 1.0 
      0.23214286       0.26785714       0.23214286 1.0 
      0.22321429       0.27678571       0.22321429 1.0 
      0.21428571       0.28571429       0.21428571 1.0 
      0.20535714       0.29464286       0.20535714 1.0 
      0.19642857       0.30357143       0.19642857 1.0 
      0.18750000       0.31250000       0.18750000 1.0 
      0.17857143       0.32142857       0.17857143 1.0 
      0.16964286       0.33035714       0.16964286 1.0 
      0.16071429       0.33928571       0.16071429 1.0 
      0.15178571       0.34821429       0.15178571 1.0 
      0.14285714       0.35714286       0.14285714 1.0 
      0.13392857       0.36607143       0.13392857 1.0 
      0.12500000       0.37500000       0.12500000 1.0 
      0.11607143       0.38392857       0.11607143 1.0 
      0.10714286       0.39285714       0.10714286 1.0 
      0.09821429       0.40178571       0.09821429 1.0 
      0.08928571       0.41071429       0.08928571 1.0 
      0.08035714       0.41964286       0.08035714 1.0 
      0.07142857       0.42857143       0.07142857 1.0 
      0.06250000       0.43750000       0.06250000 1.0 
      0.05357143       0.44642857       0.05357143 1.0 
      0.04464286       0.45535714       0.04464286 1.0 
      0.03571429       0.46428571       0.03571429 1.0 
      0.02678571       0.47321429       0.02678571 1.0 
      0.01785714       0.48214286       0.01785714 1.0 
      0.00892857       0.49107143       0.00892857 1.0 
      0.00000000       0.50000000       0.00000000 1.0 
      0.00000000       0.50000000       0.00000000 1.0 
      0.01850751       0.51482583      -0.01850751 1.0 
      0.03701501       0.52965166      -0.03701501 1.0 
      0.05552252       0.54447748      -0.05552252 1.0 
      0.07403002       0.55930331      -0.07403002 1.0 
      0.09253753       0.57412914      -0.09253753 1.0 
      0.11104503       0.58895497      -0.11104503 1.0 
      0.12955254       0.60378079      -0.12955254 1.0 
      0.14806005       0.61860662      -0.14806005 1.0 
      0.16656755       0.63343245      -0.16656755 1.0 
      0.18507506       0.64825828      -0.18507506 1.0 
      0.20358256       0.66308410      -0.20358256 1.0 
      0.22209007       0.67790993      -0.22209007 1.0 
      0.24059757       0.69273576      -0.24059757 1.0 
      0.25910508       0.70756159      -0.25910508 1.0 
      0.27761259       0.72238741      -0.27761259 1.0 
      0.27761259       0.72238741      -0.27761259 1.0 
      0.28346489       0.71653511      -0.28346489 1.0 
      0.28931719       0.71068281      -0.28931719 1.0 
      0.29516949       0.70483051      -0.29516949 1.0 
      0.30102179       0.69897821      -0.30102179 1.0 
      0.30687409       0.69312591      -0.30687409 1.0 
      0.31272639       0.68727361      -0.31272639 1.0 
      0.31857869       0.68142131      -0.31857869 1.0 
      0.32443099       0.67556901      -0.32443099 1.0 
      0.33028329       0.66971671      -0.33028329 1.0 
      0.33613559       0.66386441      -0.33613559 1.0 
      0.34198789       0.65801211      -0.34198789 1.0 
      0.34784019       0.65215981      -0.34784019 1.0 
      0.35369249       0.64630751      -0.35369249 1.0 
      0.35954479       0.64045521      -0.35954479 1.0 
      0.36539709       0.63460291      -0.36539709 1.0 
      0.37124939       0.62875061      -0.37124939 1.0 
      0.37710169       0.62289831      -0.37710169 1.0 
      0.38295399       0.61704601      -0.38295399 1.0 
      0.38880629       0.61119371      -0.38880629 1.0 
      0.39465859       0.60534141      -0.39465859 1.0 
      0.40051089       0.59948911      -0.40051089 1.0 
      0.40636319       0.59363681      -0.40636319 1.0 
      0.41221549       0.58778451      -0.41221549 1.0 
      0.41806779       0.58193221      -0.41806779 1.0 
      0.42392009       0.57607991      -0.42392009 1.0 
      0.42977240       0.57022760      -0.42977240 1.0 
      0.43562470       0.56437530      -0.43562470 1.0 
      0.44147700       0.55852300      -0.44147700 1.0 
      0.44732930       0.55267070      -0.44732930 1.0 
      0.45318160       0.54681840      -0.45318160 1.0 
      0.45903390       0.54096610      -0.45903390 1.0 
      0.46488620       0.53511380      -0.46488620 1.0 
      0.47073850       0.52926150      -0.47073850 1.0 
      0.47659080       0.52340920      -0.47659080 1.0 
      0.48244310       0.51755690      -0.48244310 1.0 
      0.48829540       0.51170460      -0.48829540 1.0 
      0.49414770       0.50585230      -0.49414770 1.0 
      0.50000000       0.50000000      -0.50000000 1.0 
      0.50000000       0.50000000      -0.50000000 1.0 
      0.48214286       0.48214286      -0.48214286 1.0 
      0.46428571       0.46428571      -0.46428571 1.0 
      0.44642857       0.44642857      -0.44642857 1.0 
      0.42857143       0.42857143      -0.42857143 1.0 
      0.41071429       0.41071429      -0.41071429 1.0 
      0.39285714       0.39285714      -0.39285714 1.0 
      0.37500000       0.37500000      -0.37500000 1.0 
      0.35714286       0.35714286      -0.35714286 1.0 
      0.33928571       0.33928571      -0.33928571 1.0 
      0.32142857       0.32142857      -0.32142857 1.0 
      0.30357143       0.30357143      -0.30357143 1.0 
      0.28571429       0.28571429      -0.28571429 1.0 
      0.26785714       0.26785714      -0.26785714 1.0 
      0.25000000       0.25000000      -0.25000000 1.0 
      0.23214286       0.23214286      -0.23214286 1.0 
      0.21428571       0.21428571      -0.21428571 1.0 
      0.19642857       0.19642857      -0.19642857 1.0 
      0.17857143       0.17857143      -0.17857143 1.0 
      0.16071429       0.16071429      -0.16071429 1.0 
      0.14285714       0.14285714      -0.14285714 1.0 
      0.12500000       0.12500000      -0.12500000 1.0 
      0.10714286       0.10714286      -0.10714286 1.0 
      0.08928571       0.08928571      -0.08928571 1.0 
      0.07142857       0.07142857      -0.07142857 1.0 
      0.05357143       0.05357143      -0.05357143 1.0 
      0.03571429       0.03571429      -0.03571429 1.0 
      0.01785714       0.01785714      -0.01785714 1.0 
      0.00000000       0.00000000       0.00000000 1.0 
      0.00000000       0.00000000       0.00000000 1.0 
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      0.01799086      -0.01799086       0.01799086 1.0 
      0.02698628      -0.02698628       0.02698628 1.0 
      0.03598171      -0.03598171       0.03598171 1.0 
      0.04497714      -0.04497714       0.04497714 1.0 
      0.05397257      -0.05397257       0.05397257 1.0 
      0.06296800      -0.06296800       0.06296800 1.0 
      0.07196342      -0.07196342       0.07196342 1.0 
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      0.10794514      -0.10794514       0.10794514 1.0 
      0.11694056      -0.11694056       0.11694056 1.0 
      0.12593599      -0.12593599       0.12593599 1.0 
      0.13493142      -0.13493142       0.13493142 1.0 
      0.14392685      -0.14392685       0.14392685 1.0 
      0.15292227      -0.15292227       0.15292227 1.0 
      0.16191770      -0.16191770       0.16191770 1.0 
      0.17091313      -0.17091313       0.17091313 1.0 
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      0.18890399      -0.18890399       0.18890399 1.0 
      0.19789941      -0.19789941       0.19789941 1.0 
      0.20689484      -0.20689484       0.20689484 1.0 
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      0.39584749      -0.17709749       0.17709749 1.0 
      0.40741999      -0.15741999       0.15741999 1.0 
      0.41899249      -0.13774249       0.13774249 1.0 
      0.43056499      -0.11806499       0.11806499 1.0 
      0.44213749      -0.09838749       0.09838749 1.0 
      0.45370999      -0.07870999       0.07870999 1.0 
      0.46528250      -0.05903250       0.05903250 1.0 
      0.47685500      -0.03935500       0.03935500 1.0 
      0.48842750      -0.01967750       0.01967750 1.0 
      0.50000000       0.00000000      -0.00000000 1.0 
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      0.49404762       0.00595238       0.00595238 1.0 
      0.48809524       0.01190476       0.01190476 1.0 
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      0.47023810       0.02976190       0.02976190 1.0 
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      0.42857143       0.07142857       0.07142857 1.0 
      0.42261905       0.07738095       0.07738095 1.0 
      0.41666667       0.08333333       0.08333333 1.0 
      0.41071429       0.08928571       0.08928571 1.0 
      0.40476190       0.09523810       0.09523810 1.0 
      0.39880952       0.10119048       0.10119048 1.0 
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      0.38690476       0.11309524       0.11309524 1.0 
      0.38095238       0.11904762       0.11904762 1.0 
      0.37500000       0.12500000       0.12500000 1.0 
      0.36904762       0.13095238       0.13095238 1.0 
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      0.35714286       0.14285714       0.14285714 1.0 
      0.35119048       0.14880952       0.14880952 1.0 
      0.34523810       0.15476190       0.15476190 1.0 
      0.33928571       0.16071429       0.16071429 1.0 
      0.33333333       0.16666667       0.16666667 1.0 
      0.32738095       0.17261905       0.17261905 1.0 
      0.32142857       0.17857143       0.17857143 1.0 
      0.31547619       0.18452381       0.18452381 1.0 
      0.30952381       0.19047619       0.19047619 1.0 
      0.30357143       0.19642857       0.19642857 1.0 
      0.29761905       0.20238095       0.20238095 1.0 
      0.29166667       0.20833333       0.20833333 1.0 
      0.28571429       0.21428571       0.21428571 1.0 
      0.27976190       0.22023810       0.22023810 1.0 
      0.27380952       0.22619048       0.22619048 1.0 
      0.26785714       0.23214286       0.23214286 1.0 
      0.26190476       0.23809524       0.23809524 1.0 
      0.25595238       0.24404762       0.24404762 1.0 
      0.25000000       0.25000000       0.25000000 1.0 
      0.09245256      -0.09245256       0.53722739 1.0 
      0.09830486      -0.09830486       0.53137509 1.0 
      0.10415716      -0.10415716       0.52552279 1.0 
      0.11000946      -0.11000946       0.51967049 1.0 
      0.11586176      -0.11586176       0.51381819 1.0 
      0.12171406      -0.12171406       0.50796589 1.0 
      0.12756637      -0.12756637       0.50211359 1.0 
      0.13341867      -0.13341867       0.49626129 1.0 
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      0.50000000       0.50000000      -0.50000000 1.0 

