! Pwscf input file created with ciftopw.py 
! Compound: BaMn2O8
&control
         calculation     = 'bands'
         prefix          = 'BaMn2O8'
         restart_mode    = 'from_scratch'
         outdir          = './'
         wf_collect      = .true.
         verbosity       = 'high'
       /
&system
         ibrav           =  14
         celldm(1)       =           17.9037904236051837
         celldm(2)       =            0.8711790527291968
         celldm(3)       =            0.7397508521324517
         celldm(4)       =            0.2375527018604714
         celldm(5)       =            0.5327999143523848
         celldm(6)       =            0.6954492391015468
         nat             =       22
         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
280
      0.00000000       0.00000000       0.00000000 1.0 
      0.01851852       0.00000000       0.01851852 1.0 
      0.03703704       0.00000000       0.03703704 1.0 
      0.05555556       0.00000000       0.05555556 1.0 
      0.07407407       0.00000000       0.07407407 1.0 
      0.09259259       0.00000000       0.09259259 1.0 
      0.11111111       0.00000000       0.11111111 1.0 
      0.12962963       0.00000000       0.12962963 1.0 
      0.14814815       0.00000000       0.14814815 1.0 
      0.16666667       0.00000000       0.16666667 1.0 
      0.18518519       0.00000000       0.18518519 1.0 
      0.20370370       0.00000000       0.20370370 1.0 
      0.22222222       0.00000000       0.22222222 1.0 
      0.24074074       0.00000000       0.24074074 1.0 
      0.25925926       0.00000000       0.25925926 1.0 
      0.27777778       0.00000000       0.27777778 1.0 
      0.29629630       0.00000000       0.29629630 1.0 
      0.31481481       0.00000000       0.31481481 1.0 
      0.33333333       0.00000000       0.33333333 1.0 
      0.35185185       0.00000000       0.35185185 1.0 
      0.37037037       0.00000000       0.37037037 1.0 
      0.38888889       0.00000000       0.38888889 1.0 
      0.40740741       0.00000000       0.40740741 1.0 
      0.42592593       0.00000000       0.42592593 1.0 
      0.44444444       0.00000000       0.44444444 1.0 
      0.46296296       0.00000000       0.46296296 1.0 
      0.48148148       0.00000000       0.48148148 1.0 
      0.50000000       0.00000000       0.50000000 1.0 
      0.50000000       0.00000000       0.50000000 1.0 
      0.52272727       0.02272727       0.50000000 1.0 
      0.54545455       0.04545455       0.50000000 1.0 
      0.56818182       0.06818182       0.50000000 1.0 
      0.59090909       0.09090909       0.50000000 1.0 
      0.61363636       0.11363636       0.50000000 1.0 
      0.63636364       0.13636364       0.50000000 1.0 
      0.65909091       0.15909091       0.50000000 1.0 
      0.68181818       0.18181818       0.50000000 1.0 
      0.70454545       0.20454545       0.50000000 1.0 
      0.72727273       0.22727273       0.50000000 1.0 
      0.75000000       0.25000000       0.50000000 1.0 
      0.77272727       0.27272727       0.50000000 1.0 
      0.79545455       0.29545455       0.50000000 1.0 
      0.81818182       0.31818182       0.50000000 1.0 
      0.84090909       0.34090909       0.50000000 1.0 
      0.86363636       0.36363636       0.50000000 1.0 
      0.88636364       0.38636364       0.50000000 1.0 
      0.90909091       0.40909091       0.50000000 1.0 
      0.93181818       0.43181818       0.50000000 1.0 
      0.95454545       0.45454545       0.50000000 1.0 
      0.97727273       0.47727273       0.50000000 1.0 
      1.00000000       0.50000000       0.50000000 1.0 
      1.00000000       0.50000000       0.50000000 1.0 
      0.98148148       0.50000000       0.48148148 1.0 
      0.96296296       0.50000000       0.46296296 1.0 
      0.94444444       0.50000000       0.44444444 1.0 
      0.92592593       0.50000000       0.42592593 1.0 
      0.90740741       0.50000000       0.40740741 1.0 
      0.88888889       0.50000000       0.38888889 1.0 
      0.87037037       0.50000000       0.37037037 1.0 
      0.85185185       0.50000000       0.35185185 1.0 
      0.83333333       0.50000000       0.33333333 1.0 
      0.81481481       0.50000000       0.31481481 1.0 
      0.79629630       0.50000000       0.29629630 1.0 
      0.77777778       0.50000000       0.27777778 1.0 
      0.75925926       0.50000000       0.25925926 1.0 
      0.74074074       0.50000000       0.24074074 1.0 
      0.72222222       0.50000000       0.22222222 1.0 
      0.70370370       0.50000000       0.20370370 1.0 
      0.68518519       0.50000000       0.18518519 1.0 
      0.66666667       0.50000000       0.16666667 1.0 
      0.64814815       0.50000000       0.14814815 1.0 
      0.62962963       0.50000000       0.12962963 1.0 
      0.61111111       0.50000000       0.11111111 1.0 
      0.59259259       0.50000000       0.09259259 1.0 
      0.57407407       0.50000000       0.07407407 1.0 
      0.55555556       0.50000000       0.05555556 1.0 
      0.53703704       0.50000000       0.03703704 1.0 
      0.51851852       0.50000000       0.01851852 1.0 
      0.50000000       0.50000000       0.00000000 1.0 
      0.50000000       0.50000000       0.00000000 1.0 
      0.47727273       0.47727273       0.00000000 1.0 
      0.45454545       0.45454545       0.00000000 1.0 
      0.43181818       0.43181818       0.00000000 1.0 
      0.40909091       0.40909091       0.00000000 1.0 
      0.38636364       0.38636364       0.00000000 1.0 
      0.36363636       0.36363636       0.00000000 1.0 
      0.34090909       0.34090909       0.00000000 1.0 
      0.31818182       0.31818182       0.00000000 1.0 
      0.29545455       0.29545455       0.00000000 1.0 
      0.27272727       0.27272727       0.00000000 1.0 
      0.25000000       0.25000000       0.00000000 1.0 
      0.22727273       0.22727273       0.00000000 1.0 
      0.20454545       0.20454545       0.00000000 1.0 
      0.18181818       0.18181818       0.00000000 1.0 
      0.15909091       0.15909091       0.00000000 1.0 
      0.13636364       0.13636364       0.00000000 1.0 
      0.11363636       0.11363636       0.00000000 1.0 
      0.09090909       0.09090909       0.00000000 1.0 
      0.06818182       0.06818182       0.00000000 1.0 
      0.04545455       0.04545455       0.00000000 1.0 
      0.02272727       0.02272727       0.00000000 1.0 
      0.00000000       0.00000000       0.00000000 1.0 
      0.00000000       0.00000000       0.00000000 1.0 
      0.00000000       0.01172219       0.01172219 1.0 
      0.00000000       0.02344438       0.02344438 1.0 
      0.00000000       0.03516657       0.03516657 1.0 
      0.00000000       0.04688877       0.04688877 1.0 
      0.00000000       0.05861096       0.05861096 1.0 
      0.00000000       0.07033315       0.07033315 1.0 
      0.00000000       0.08205534       0.08205534 1.0 
      0.00000000       0.09377753       0.09377753 1.0 
      0.00000000       0.10549972       0.10549972 1.0 
      0.00000000       0.11722192       0.11722192 1.0 
      0.00000000       0.12894411       0.12894411 1.0 
      0.00000000       0.14066630       0.14066630 1.0 
      0.00000000       0.15238849       0.15238849 1.0 
      0.00000000       0.16411068       0.16411068 1.0 
      0.00000000       0.17583287       0.17583287 1.0 
      0.00000000       0.18755506       0.18755506 1.0 
      0.00000000       0.19927726       0.19927726 1.0 
      0.00000000       0.21099945       0.21099945 1.0 
      0.00000000       0.22272164       0.22272164 1.0 
      0.00000000       0.23444383       0.23444383 1.0 
      0.00000000       0.24616602       0.24616602 1.0 
      0.00000000       0.25788821       0.25788821 1.0 
      0.00000000       0.26961040       0.26961040 1.0 
      0.00000000       0.28133260       0.28133260 1.0 
      0.00000000       0.29305479       0.29305479 1.0 
      0.00000000       0.30477698       0.30477698 1.0 
      0.00000000       0.31649917       0.31649917 1.0 
      0.00000000       0.32822136       0.32822136 1.0 
      0.00000000       0.33994355       0.33994355 1.0 
      0.00000000       0.35166575       0.35166575 1.0 
      0.00000000       0.36338794       0.36338794 1.0 
      0.00000000       0.37511013       0.37511013 1.0 
      0.00000000       0.38683232       0.38683232 1.0 
      0.00000000       0.39855451       0.39855451 1.0 
      0.00000000       0.41027670       0.41027670 1.0 
      0.00000000       0.41027670       0.41027670 1.0 
      0.01562500       0.40420762       0.41983262 1.0 
      0.03125000       0.39813853       0.42938853 1.0 
      0.04687500       0.39206945       0.43894445 1.0 
      0.06250000       0.38600036       0.44850036 1.0 
      0.07812500       0.37993127       0.45805627 1.0 
      0.09375000       0.37386219       0.46761219 1.0 
      0.10937500       0.36779310       0.47716810 1.0 
      0.12500000       0.36172402       0.48672402 1.0 
      0.14062500       0.35565493       0.49627993 1.0 
      0.15625000       0.34958584       0.50583584 1.0 
      0.17187500       0.34351676       0.51539176 1.0 
      0.18750000       0.33744767       0.52494767 1.0 
      0.20312500       0.33137859       0.53450359 1.0 
      0.21875000       0.32530950       0.54405950 1.0 
      0.23437500       0.31924042       0.55361542 1.0 
      0.25000000       0.31317133       0.56317133 1.0 
      0.26562500       0.30710224       0.57272724 1.0 
      0.28125000       0.30103316       0.58228316 1.0 
      0.29687500       0.29496407       0.59183907 1.0 
      0.31250000       0.28889499       0.60139499 1.0 
      0.32812500       0.28282590       0.61095090 1.0 
      0.34375000       0.27675682       0.62050682 1.0 
      0.35937500       0.27068773       0.63006273 1.0 
      0.37500000       0.26461864       0.63961864 1.0 
      0.39062500       0.25854956       0.64917456 1.0 
      0.40625000       0.25248047       0.65873047 1.0 
      0.42187500       0.24641139       0.66828639 1.0 
      0.43750000       0.24034230       0.67784230 1.0 
      0.45312500       0.23427321       0.68739821 1.0 
      0.46875000       0.22820413       0.69695413 1.0 
      0.48437500       0.22213504       0.70651004 1.0 
      0.50000000       0.21606596       0.71606596 1.0 
      0.50000000       0.21606596       0.71606596 1.0 
      0.50000000       0.20469406       0.70469406 1.0 
      0.50000000       0.19332217       0.69332217 1.0 
      0.50000000       0.18195028       0.68195028 1.0 
      0.50000000       0.17057839       0.67057839 1.0 
      0.50000000       0.15920649       0.65920649 1.0 
      0.50000000       0.14783460       0.64783460 1.0 
      0.50000000       0.13646271       0.63646271 1.0 
      0.50000000       0.12509082       0.62509082 1.0 
      0.50000000       0.11371892       0.61371892 1.0 
      0.50000000       0.10234703       0.60234703 1.0 
      0.50000000       0.09097514       0.59097514 1.0 
      0.50000000       0.07960325       0.57960325 1.0 
      0.50000000       0.06823135       0.56823135 1.0 
      0.50000000       0.05685946       0.55685946 1.0 
      0.50000000       0.04548757       0.54548757 1.0 
      0.50000000       0.03411568       0.53411568 1.0 
      0.50000000       0.02274378       0.52274378 1.0 
      0.50000000       0.01137189       0.51137189 1.0 
      0.50000000       0.00000000       0.50000000 1.0 
      1.00000000       0.50000000       0.50000000 1.0 
      1.00000000       0.51121541       0.51121541 1.0 
      1.00000000       0.52243082       0.52243082 1.0 
      1.00000000       0.53364624       0.53364624 1.0 
      1.00000000       0.54486165       0.54486165 1.0 
      1.00000000       0.55607706       0.55607706 1.0 
      1.00000000       0.56729247       0.56729247 1.0 
      1.00000000       0.57850788       0.57850788 1.0 
      1.00000000       0.58972330       0.58972330 1.0 
      0.00000000       0.41027670       0.41027670 1.0 
      0.02083333       0.42584576       0.40501243 1.0 
      0.04166667       0.44141481       0.39974815 1.0 
      0.06250000       0.45698387       0.39448387 1.0 
      0.08333333       0.47255293       0.38921959 1.0 
      0.10416667       0.48812198       0.38395532 1.0 
      0.12500000       0.50369104       0.37869104 1.0 
      0.14583333       0.51926009       0.37342676 1.0 
      0.16666667       0.53482915       0.36816248 1.0 
      0.18750000       0.55039821       0.36289821 1.0 
      0.20833333       0.56596726       0.35763393 1.0 
      0.22916667       0.58153632       0.35236965 1.0 
      0.25000000       0.59710537       0.34710537 1.0 
      0.27083333       0.61267443       0.34184110 1.0 
      0.29166667       0.62824348       0.33657682 1.0 
      0.31250000       0.64381254       0.33131254 1.0 
      0.33333333       0.65938160       0.32604826 1.0 
      0.35416667       0.67495065       0.32078399 1.0 
      0.37500000       0.69051971       0.31551971 1.0 
      0.39583333       0.70608876       0.31025543 1.0 
      0.41666667       0.72165782       0.30499115 1.0 
      0.43750000       0.73722688       0.29972688 1.0 
      0.45833333       0.75279593       0.29446260 1.0 
      0.47916667       0.76836499       0.28919832 1.0 
      0.50000000       0.78393404       0.28393404 1.0 
      0.50000000       0.78393404       0.28393404 1.0 
      0.50000000       0.77257668       0.27257668 1.0 
      0.50000000       0.76121932       0.26121932 1.0 
      0.50000000       0.74986196       0.24986196 1.0 
      0.50000000       0.73850460       0.23850460 1.0 
      0.50000000       0.72714723       0.22714723 1.0 
      0.50000000       0.71578987       0.21578987 1.0 
      0.50000000       0.70443251       0.20443251 1.0 
      0.50000000       0.69307515       0.19307515 1.0 
      0.50000000       0.68171779       0.18171779 1.0 
      0.50000000       0.67036043       0.17036043 1.0 
      0.50000000       0.65900306       0.15900306 1.0 
      0.50000000       0.64764570       0.14764570 1.0 
      0.50000000       0.63628834       0.13628834 1.0 
      0.50000000       0.62493098       0.12493098 1.0 
      0.50000000       0.61357362       0.11357362 1.0 
      0.50000000       0.60221626       0.10221626 1.0 
      0.50000000       0.59085889       0.09085889 1.0 
      0.50000000       0.57950153       0.07950153 1.0 
      0.50000000       0.56814417       0.06814417 1.0 
      0.50000000       0.55678681       0.05678681 1.0 
      0.50000000       0.54542945       0.04542945 1.0 
      0.50000000       0.53407209       0.03407209 1.0 
      0.50000000       0.52271472       0.02271472 1.0 
      0.50000000       0.51135736       0.01135736 1.0 
      0.50000000       0.50000000       0.00000000 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 

