! Pwscf input file created with ciftopw.py 
! Compound: LiMnO4
&control
         calculation     = 'bands'
         prefix          = 'LiMnO4'
         restart_mode    = 'from_scratch'
         outdir          = './'
         wf_collect      = .true.
         verbosity       = 'high'
       /
&system
         ibrav           =  14
         celldm(1)       =            9.4921396636519990
         celldm(2)       =            1.0000000000000002
         celldm(3)       =            1.2659922693643120
         celldm(4)       =            0.0000000000000001
         celldm(5)       =            0.0000000000000001
         celldm(6)       =           -0.3974735579147639
         nat             =       12
         ntyp            =        3
         ecutwfc         =      103.00000000
         ecutrho         =      412.00000000
         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
 O  15.9994 O.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
Mn  54.9380 Mn.rel-pbe-oncvpsp.UPF 
Li   6.9410 Li.rel-pbe-s-rrkjus_psl.1.0.0.UPF 
ATOMIC_POSITIONS crystal
K_POINTS crystal
350
      0.00000000       0.00000000       0.00000000 1.0 
      0.00872655       0.00872655       0.00000000 1.0 
      0.01745310       0.01745310       0.00000000 1.0 
      0.02617965       0.02617965       0.00000000 1.0 
      0.03490620       0.03490620       0.00000000 1.0 
      0.04363275       0.04363275       0.00000000 1.0 
      0.05235930       0.05235930       0.00000000 1.0 
      0.06108585       0.06108585       0.00000000 1.0 
      0.06981239       0.06981239       0.00000000 1.0 
      0.07853894       0.07853894       0.00000000 1.0 
      0.08726549       0.08726549       0.00000000 1.0 
      0.09599204       0.09599204       0.00000000 1.0 
      0.10471859       0.10471859       0.00000000 1.0 
      0.11344514       0.11344514       0.00000000 1.0 
      0.12217169       0.12217169       0.00000000 1.0 
      0.13089824       0.13089824       0.00000000 1.0 
      0.13962479       0.13962479       0.00000000 1.0 
      0.14835134       0.14835134       0.00000000 1.0 
      0.15707789       0.15707789       0.00000000 1.0 
      0.16580444       0.16580444       0.00000000 1.0 
      0.17453099       0.17453099       0.00000000 1.0 
      0.18325754       0.18325754       0.00000000 1.0 
      0.19198409       0.19198409       0.00000000 1.0 
      0.20071063       0.20071063       0.00000000 1.0 
      0.20943718       0.20943718       0.00000000 1.0 
      0.21816373       0.21816373       0.00000000 1.0 
      0.22689028       0.22689028       0.00000000 1.0 
      0.23561683       0.23561683       0.00000000 1.0 
      0.24434338       0.24434338       0.00000000 1.0 
      0.25306993       0.25306993       0.00000000 1.0 
      0.26179648       0.26179648       0.00000000 1.0 
      0.27052303       0.27052303       0.00000000 1.0 
      0.27924958       0.27924958       0.00000000 1.0 
      0.28797613       0.28797613       0.00000000 1.0 
      0.29670268       0.29670268       0.00000000 1.0 
      0.30542923       0.30542923       0.00000000 1.0 
      0.31415578       0.31415578       0.00000000 1.0 
      0.32288233       0.32288233       0.00000000 1.0 
      0.33160887       0.33160887       0.00000000 1.0 
      0.34033542       0.34033542       0.00000000 1.0 
      0.34906197       0.34906197       0.00000000 1.0 
      0.35778852       0.35778852       0.00000000 1.0 
      0.35778852       0.35778852       0.00000000 1.0 
      0.34223250       0.36397163       0.00000000 1.0 
      0.32667648       0.37015474       0.00000000 1.0 
      0.31112045       0.37633785       0.00000000 1.0 
      0.29556443       0.38252095       0.00000000 1.0 
      0.28000841       0.38870406       0.00000000 1.0 
      0.26445239       0.39488717       0.00000000 1.0 
      0.24889636       0.40107028       0.00000000 1.0 
      0.23334034       0.40725338       0.00000000 1.0 
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      0.20222830       0.41961960       0.00000000 1.0 
      0.18667227       0.42580271       0.00000000 1.0 
      0.17111625       0.43198582       0.00000000 1.0 
      0.15556023       0.43816892       0.00000000 1.0 
      0.14000420       0.44435203       0.00000000 1.0 
      0.12444818       0.45053514       0.00000000 1.0 
      0.10889216       0.45671825       0.00000000 1.0 
      0.09333614       0.46290135       0.00000000 1.0 
      0.07778011       0.46908446       0.00000000 1.0 
      0.06222409       0.47526757       0.00000000 1.0 
      0.04666807       0.48145068       0.00000000 1.0 
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      0.07778011       0.46908446       0.50000000 1.0 
      0.09333614       0.46290135       0.50000000 1.0 
      0.10889216       0.45671825       0.50000000 1.0 
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      0.20222830       0.41961960       0.50000000 1.0 
      0.21778432       0.41343649       0.50000000 1.0 
      0.23334034       0.40725338       0.50000000 1.0 
      0.24889636       0.40107028       0.50000000 1.0 
      0.26445239       0.39488717       0.50000000 1.0 
      0.28000841       0.38870406       0.50000000 1.0 
      0.29556443       0.38252095       0.50000000 1.0 
      0.31112045       0.37633785       0.50000000 1.0 
      0.32667648       0.37015474       0.50000000 1.0 
      0.34223250       0.36397163       0.50000000 1.0 
      0.35778852       0.35778852       0.50000000 1.0 
      0.35778852       0.35778852       0.50000000 1.0 
      0.34906197       0.34906197       0.50000000 1.0 
      0.34033542       0.34033542       0.50000000 1.0 
      0.33160887       0.33160887       0.50000000 1.0 
      0.32288233       0.32288233       0.50000000 1.0 
      0.31415578       0.31415578       0.50000000 1.0 
      0.30542923       0.30542923       0.50000000 1.0 
      0.29670268       0.29670268       0.50000000 1.0 
      0.28797613       0.28797613       0.50000000 1.0 
      0.27924958       0.27924958       0.50000000 1.0 
      0.27052303       0.27052303       0.50000000 1.0 
      0.26179648       0.26179648       0.50000000 1.0 
      0.25306993       0.25306993       0.50000000 1.0 
      0.24434338       0.24434338       0.50000000 1.0 
      0.23561683       0.23561683       0.50000000 1.0 
      0.22689028       0.22689028       0.50000000 1.0 
      0.21816373       0.21816373       0.50000000 1.0 
      0.20943718       0.20943718       0.50000000 1.0 
      0.20071063       0.20071063       0.50000000 1.0 
      0.19198409       0.19198409       0.50000000 1.0 
      0.18325754       0.18325754       0.50000000 1.0 
      0.17453099       0.17453099       0.50000000 1.0 
      0.16580444       0.16580444       0.50000000 1.0 
      0.15707789       0.15707789       0.50000000 1.0 
      0.14835134       0.14835134       0.50000000 1.0 
      0.13962479       0.13962479       0.50000000 1.0 
      0.13089824       0.13089824       0.50000000 1.0 
      0.12217169       0.12217169       0.50000000 1.0 
      0.11344514       0.11344514       0.50000000 1.0 
      0.10471859       0.10471859       0.50000000 1.0 
      0.09599204       0.09599204       0.50000000 1.0 
      0.08726549       0.08726549       0.50000000 1.0 
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     -0.44736842       0.44736842       0.50000000 1.0 
     -0.46052632       0.46052632       0.50000000 1.0 
     -0.47368421       0.47368421       0.50000000 1.0 
     -0.48684211       0.48684211       0.50000000 1.0 
     -0.50000000       0.50000000       0.50000000 1.0 

