! Pwscf input file created with ciftopw.py 
! Compound: Ba2MnO3
&control
         calculation     = 'bands'
         prefix          = 'Ba2MnO3'
         restart_mode    = 'from_scratch'
         outdir          = './'
         wf_collect      = .true.
         verbosity       = 'high'
       /
&system
         ibrav           =  14
         celldm(1)       =           12.2558949706522586
         celldm(2)       =            1.0000000000000000
         celldm(3)       =            1.9592814885998522
         celldm(4)       =            0.0293983621036664
         celldm(5)       =            0.0293983621036664
         celldm(6)       =           -0.5937482572328815
         nat             =       24
         ntyp            =        3
         ecutwfc         =       80.00000000
         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 
Mn  54.9380 Mn.rel-pbe-oncvpsp.UPF 
 O  15.9994 O.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
ATOMIC_POSITIONS crystal
K_POINTS crystal
265
      0.00000000       0.00000000       0.00000000 1.0 
      0.00922723       0.00922723       0.00053149 1.0 
      0.01845446       0.01845446       0.00106297 1.0 
      0.02768169       0.02768169       0.00159446 1.0 
      0.03690892       0.03690892       0.00212594 1.0 
      0.04613615       0.04613615       0.00265743 1.0 
      0.05536338       0.05536338       0.00318891 1.0 
      0.06459061       0.06459061       0.00372040 1.0 
      0.07381784       0.07381784       0.00425188 1.0 
      0.08304507       0.08304507       0.00478337 1.0 
      0.09227230       0.09227230       0.00531485 1.0 
      0.10149953       0.10149953       0.00584634 1.0 
      0.11072676       0.11072676       0.00637782 1.0 
      0.11995400       0.11995400       0.00690931 1.0 
      0.12918123       0.12918123       0.00744080 1.0 
      0.13840846       0.13840846       0.00797228 1.0 
      0.14763569       0.14763569       0.00850377 1.0 
      0.15686292       0.15686292       0.00903525 1.0 
      0.16609015       0.16609015       0.00956674 1.0 
      0.17531738       0.17531738       0.01009822 1.0 
      0.18454461       0.18454461       0.01062971 1.0 
      0.19377184       0.19377184       0.01116119 1.0 
      0.20299907       0.20299907       0.01169268 1.0 
      0.21222630       0.21222630       0.01222416 1.0 
      0.22145353       0.22145353       0.01275565 1.0 
      0.23068076       0.23068076       0.01328713 1.0 
      0.23990799       0.23990799       0.01381862 1.0 
      0.24913522       0.24913522       0.01435011 1.0 
      0.25836245       0.25836245       0.01488159 1.0 
      0.26758968       0.26758968       0.01541308 1.0 
      0.27681691       0.27681691       0.01594456 1.0 
      0.28604414       0.28604414       0.01647605 1.0 
      0.29527137       0.29527137       0.01700753 1.0 
      0.30449860       0.30449860       0.01753902 1.0 
      0.31372583       0.31372583       0.01807050 1.0 
      0.31372583       0.31372583       0.01807050 1.0 
      0.31431366       0.31431366       0.05724705 1.0 
      0.31490150       0.31490150       0.09642359 1.0 
      0.31548933       0.31548933       0.13560014 1.0 
      0.31607716       0.31607716       0.17477668 1.0 
      0.31666499       0.31666499       0.21395322 1.0 
      0.31725282       0.31725282       0.25312977 1.0 
      0.31784065       0.31784065       0.29230631 1.0 
      0.31842848       0.31842848       0.33148286 1.0 
      0.31901631       0.31901631       0.37065940 1.0 
      0.31960414       0.31960414       0.40983595 1.0 
      0.32019197       0.32019197       0.44901249 1.0 
      0.32019197       0.32019197       0.44901249 1.0 
      0.31695890       0.31695890       0.48354150 1.0 
      0.31372583       0.31372583       0.51807050 1.0 
      0.31049276       0.31049276       0.55259951 1.0 
      0.30725969       0.30725969       0.58712852 1.0 
      0.30725969       0.30725969       0.58712852 1.0 
      0.29822264       0.29822264       0.58456591 1.0 
      0.28918559       0.28918559       0.58200331 1.0 
      0.28014854       0.28014854       0.57944071 1.0 
      0.27111149       0.27111149       0.57687810 1.0 
      0.26207444       0.26207444       0.57431550 1.0 
      0.25303739       0.25303739       0.57175290 1.0 
      0.24400034       0.24400034       0.56919029 1.0 
      0.23496329       0.23496329       0.56662769 1.0 
      0.22592624       0.22592624       0.56406509 1.0 
      0.21688920       0.21688920       0.56150248 1.0 
      0.20785215       0.20785215       0.55893988 1.0 
      0.19881510       0.19881510       0.55637728 1.0 
      0.18977805       0.18977805       0.55381467 1.0 
      0.18074100       0.18074100       0.55125207 1.0 
      0.17170395       0.17170395       0.54868947 1.0 
      0.16266690       0.16266690       0.54612686 1.0 
      0.15362985       0.15362985       0.54356426 1.0 
      0.14459280       0.14459280       0.54100165 1.0 
      0.13555575       0.13555575       0.53843905 1.0 
      0.12651870       0.12651870       0.53587645 1.0 
      0.11748165       0.11748165       0.53331384 1.0 
      0.10844460       0.10844460       0.53075124 1.0 
      0.09940755       0.09940755       0.52818864 1.0 
      0.09037050       0.09037050       0.52562603 1.0 
      0.08133345       0.08133345       0.52306343 1.0 
      0.07229640       0.07229640       0.52050083 1.0 
      0.06325935       0.06325935       0.51793822 1.0 
      0.05422230       0.05422230       0.51537562 1.0 
      0.04518525       0.04518525       0.51281302 1.0 
      0.03614820       0.03614820       0.51025041 1.0 
      0.02711115       0.02711115       0.50768781 1.0 
      0.01807410       0.01807410       0.50512521 1.0 
      0.00903705       0.00903705       0.50256260 1.0 
      0.00000000       0.00000000       0.50000000 1.0 
      0.00000000       0.00000000       0.50000000 1.0 
      0.01785714      -0.01785714       0.50000000 1.0 
      0.03571429      -0.03571429       0.50000000 1.0 
      0.05357143      -0.05357143       0.50000000 1.0 
      0.07142857      -0.07142857       0.50000000 1.0 
      0.08928571      -0.08928571       0.50000000 1.0 
      0.10714286      -0.10714286       0.50000000 1.0 
      0.12500000      -0.12500000       0.50000000 1.0 
      0.14285714      -0.14285714       0.50000000 1.0 
      0.16071429      -0.16071429       0.50000000 1.0 
      0.17857143      -0.17857143       0.50000000 1.0 
      0.19642857      -0.19642857       0.50000000 1.0 
      0.21428571      -0.21428571       0.50000000 1.0 
      0.23214286      -0.23214286       0.50000000 1.0 
      0.25000000      -0.25000000       0.50000000 1.0 
      0.26785714      -0.26785714       0.50000000 1.0 
      0.28571429      -0.28571429       0.50000000 1.0 
      0.30357143      -0.30357143       0.50000000 1.0 
      0.32142857      -0.32142857       0.50000000 1.0 
      0.33928571      -0.33928571       0.50000000 1.0 
      0.35714286      -0.35714286       0.50000000 1.0 
      0.37500000      -0.37500000       0.50000000 1.0 
      0.39285714      -0.39285714       0.50000000 1.0 
      0.41071429      -0.41071429       0.50000000 1.0 
      0.42857143      -0.42857143       0.50000000 1.0 
      0.44642857      -0.44642857       0.50000000 1.0 
      0.46428571      -0.46428571       0.50000000 1.0 
      0.48214286      -0.48214286       0.50000000 1.0 
      0.50000000      -0.50000000       0.50000000 1.0 
      0.50000000      -0.50000000       0.50000000 1.0 
      0.50899040      -0.49100960       0.50254938 1.0 
      0.51798080      -0.48201920       0.50509875 1.0 
      0.52697120      -0.47302880       0.50764813 1.0 
      0.53596161      -0.46403839       0.51019750 1.0 
      0.54495201      -0.45504799       0.51274688 1.0 
      0.55394241      -0.44605759       0.51529625 1.0 
      0.56293281      -0.43706719       0.51784563 1.0 
      0.57192321      -0.42807679       0.52039500 1.0 
      0.58091361      -0.41908639       0.52294438 1.0 
      0.58990401      -0.41009599       0.52549376 1.0 
      0.59889441      -0.40110559       0.52804313 1.0 
      0.60788482      -0.39211518       0.53059251 1.0 
      0.61687522      -0.38312478       0.53314188 1.0 
      0.62586562      -0.37413438       0.53569126 1.0 
      0.63485602      -0.36514398       0.53824063 1.0 
      0.64384642      -0.35615358       0.54079001 1.0 
      0.65283682      -0.34716318       0.54333938 1.0 
      0.66182722      -0.33817278       0.54588876 1.0 
      0.67081763      -0.32918237       0.54843813 1.0 
      0.67980803      -0.32019197       0.55098751 1.0 
      0.69274031      -0.30725969       0.41287148 1.0 
      0.69215248      -0.30784752       0.37369494 1.0 
      0.69156464      -0.30843536       0.33451839 1.0 
      0.69097681      -0.30902319       0.29534185 1.0 
      0.69038898      -0.30961102       0.25616531 1.0 
      0.68980115      -0.31019885       0.21698876 1.0 
      0.68921332      -0.31078668       0.17781222 1.0 
      0.68862549      -0.31137451       0.13863567 1.0 
      0.68803766      -0.31196234       0.09945913 1.0 
      0.68744983      -0.31255017       0.06028259 1.0 
      0.68686200      -0.31313800       0.02110604 1.0 
      0.68627417      -0.31372583      -0.01807050 1.0 
      0.68627417      -0.31372583      -0.01807050 1.0 
      0.67740397      -0.32259603      -0.01721000 1.0 
      0.66853377      -0.33146623      -0.01634950 1.0 
      0.65966357      -0.34033643      -0.01548900 1.0 
      0.65079337      -0.34920663      -0.01462850 1.0 
      0.64192317      -0.35807683      -0.01376800 1.0 
      0.63305298      -0.36694702      -0.01290750 1.0 
      0.62418278      -0.37581722      -0.01204700 1.0 
      0.61531258      -0.38468742      -0.01118650 1.0 
      0.60644238      -0.39355762      -0.01032600 1.0 
      0.59757218      -0.40242782      -0.00946550 1.0 
      0.58870198      -0.41129802      -0.00860500 1.0 
      0.57983179      -0.42016821      -0.00774450 1.0 
      0.57096159      -0.42903841      -0.00688400 1.0 
      0.56209139      -0.43790861      -0.00602350 1.0 
      0.55322119      -0.44677881      -0.00516300 1.0 
      0.54435099      -0.45564901      -0.00430250 1.0 
      0.53548079      -0.46451921      -0.00344200 1.0 
      0.52661060      -0.47338940      -0.00258150 1.0 
      0.51774040      -0.48225960      -0.00172100 1.0 
      0.50887020      -0.49112980      -0.00086050 1.0 
      0.50000000      -0.50000000       0.00000000 1.0 
      0.50000000      -0.50000000       0.00000000 1.0 
      0.48214286      -0.48214286       0.00000000 1.0 
      0.46428571      -0.46428571       0.00000000 1.0 
      0.44642857      -0.44642857       0.00000000 1.0 
      0.42857143      -0.42857143       0.00000000 1.0 
      0.41071429      -0.41071429       0.00000000 1.0 
      0.39285714      -0.39285714       0.00000000 1.0 
      0.37500000      -0.37500000       0.00000000 1.0 
      0.35714286      -0.35714286       0.00000000 1.0 
      0.33928571      -0.33928571       0.00000000 1.0 
      0.32142857      -0.32142857       0.00000000 1.0 
      0.30357143      -0.30357143       0.00000000 1.0 
      0.28571429      -0.28571429       0.00000000 1.0 
      0.26785714      -0.26785714       0.00000000 1.0 
      0.25000000      -0.25000000       0.00000000 1.0 
      0.23214286      -0.23214286       0.00000000 1.0 
      0.21428571      -0.21428571       0.00000000 1.0 
      0.19642857      -0.19642857       0.00000000 1.0 
      0.17857143      -0.17857143       0.00000000 1.0 
      0.16071429      -0.16071429       0.00000000 1.0 
      0.14285714      -0.14285714       0.00000000 1.0 
      0.12500000      -0.12500000       0.00000000 1.0 
      0.10714286      -0.10714286       0.00000000 1.0 
      0.08928571      -0.08928571       0.00000000 1.0 
      0.07142857      -0.07142857       0.00000000 1.0 
      0.05357143      -0.05357143       0.00000000 1.0 
      0.03571429      -0.03571429       0.00000000 1.0 
      0.01785714      -0.01785714       0.00000000 1.0 
      0.00000000       0.00000000       0.00000000 1.0 
      0.00000000       0.00000000       0.00000000 1.0 
      0.01612903       0.00000000       0.00000000 1.0 
      0.03225806       0.00000000       0.00000000 1.0 
      0.04838710       0.00000000       0.00000000 1.0 
      0.06451613       0.00000000       0.00000000 1.0 
      0.08064516       0.00000000      -0.00000000 1.0 
      0.09677419       0.00000000       0.00000000 1.0 
      0.11290323      -0.00000000       0.00000000 1.0 
      0.12903226       0.00000000       0.00000000 1.0 
      0.14516129       0.00000000       0.00000000 1.0 
      0.16129032       0.00000000      -0.00000000 1.0 
      0.17741935       0.00000000      -0.00000000 1.0 
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      0.22580645      -0.00000000       0.00000000 1.0 
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      0.29032258       0.00000000       0.00000000 1.0 
      0.30645161       0.00000000       0.00000000 1.0 
      0.32258065       0.00000000      -0.00000000 1.0 
      0.33870968       0.00000000      -0.00000000 1.0 
      0.35483871       0.00000000      -0.00000000 1.0 
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      0.38709677       0.00000000       0.00000000 1.0 
      0.40322581       0.00000000       0.00000000 1.0 
      0.41935484       0.00000000       0.00000000 1.0 
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      0.45161290      -0.00000000       0.00000000 1.0 
      0.46774194      -0.00000000      -0.00000000 1.0 
      0.48387097       0.00000000       0.00000000 1.0 
      0.50000000       0.00000000       0.00000000 1.0 
      0.50000000       0.00000000       0.50000000 1.0 
      0.48437500       0.00000000       0.48437500 1.0 
      0.46875000       0.00000000       0.46875000 1.0 
      0.45312500       0.00000000       0.45312500 1.0 
      0.43750000      -0.00000000       0.43750000 1.0 
      0.42187500       0.00000000       0.42187500 1.0 
      0.40625000       0.00000000       0.40625000 1.0 
      0.39062500       0.00000000       0.39062500 1.0 
      0.37500000       0.00000000       0.37500000 1.0 
      0.35937500      -0.00000000       0.35937500 1.0 
      0.34375000       0.00000000       0.34375000 1.0 
      0.32812500       0.00000000       0.32812500 1.0 
      0.31250000       0.00000000       0.31250000 1.0 
      0.29687500       0.00000000       0.29687500 1.0 
      0.28125000       0.00000000       0.28125000 1.0 
      0.26562500       0.00000000       0.26562500 1.0 
      0.25000000       0.00000000       0.25000000 1.0 
      0.23437500       0.00000000       0.23437500 1.0 
      0.21875000      -0.00000000       0.21875000 1.0 
      0.20312500       0.00000000       0.20312500 1.0 
      0.18750000      -0.00000000       0.18750000 1.0 
      0.17187500       0.00000000       0.17187500 1.0 
      0.15625000       0.00000000       0.15625000 1.0 
      0.14062500      -0.00000000       0.14062500 1.0 
      0.12500000       0.00000000       0.12500000 1.0 
      0.10937500       0.00000000       0.10937500 1.0 
      0.09375000      -0.00000000       0.09375000 1.0 
      0.07812500       0.00000000       0.07812500 1.0 
      0.06250000       0.00000000       0.06250000 1.0 
      0.04687500      -0.00000000       0.04687500 1.0 
      0.03125000      -0.00000000       0.03125000 1.0 
      0.01562500      -0.00000000       0.01562500 1.0 
      0.00000000       0.00000000       0.00000000 1.0 

