! Pwscf input file created with ciftopw.py 
! Compound: MnCO3
&control
         calculation     = 'bands'
         prefix          = 'MnCO3'
         restart_mode    = 'from_scratch'
         outdir          = './'
         wf_collect      = .true.
         verbosity       = 'high'
       /
&system
         ibrav           =  14
         celldm(1)       =           11.1445200735331529
         celldm(2)       =            1.0000000000000000
         celldm(3)       =            1.0000000000000000
         celldm(4)       =            0.6724875580220943
         celldm(5)       =            0.6724875580220943
         celldm(6)       =            0.6724875580220945
         nat             =       10
         ntyp            =        3
         ecutwfc         =       80.00000000
         ecutrho         =      327.00000000
         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 
 C  12.0107 C.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
ATOMIC_POSITIONS crystal
K_POINTS crystal
279
      0.00000000       0.00000000       0.00000000 1.0 
      0.01250000       0.00000000      -0.00000000 1.0 
      0.02500000       0.00000000      -0.00000000 1.0 
      0.03750000       0.00000000       0.00000000 1.0 
      0.05000000       0.00000000      -0.00000000 1.0 
      0.06250000       0.00000000      -0.00000000 1.0 
      0.07500000       0.00000000       0.00000000 1.0 
      0.08750000       0.00000000       0.00000000 1.0 
      0.10000000       0.00000000      -0.00000000 1.0 
      0.11250000       0.00000000      -0.00000000 1.0 
      0.12500000       0.00000000      -0.00000000 1.0 
      0.13750000       0.00000000      -0.00000000 1.0 
      0.15000000       0.00000000       0.00000000 1.0 
      0.16250000       0.00000000       0.00000000 1.0 
      0.17500000       0.00000000       0.00000000 1.0 
      0.18750000       0.00000000       0.00000000 1.0 
      0.20000000       0.00000000      -0.00000000 1.0 
      0.21250000       0.00000000      -0.00000000 1.0 
      0.22500000       0.00000000      -0.00000000 1.0 
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      0.25000000       0.00000000      -0.00000000 1.0 
      0.26250000       0.00000000      -0.00000000 1.0 
      0.27500000       0.00000000      -0.00000000 1.0 
      0.28750000       0.00000000      -0.00000000 1.0 
      0.30000000       0.00000000       0.00000000 1.0 
      0.31250000       0.00000000       0.00000000 1.0 
      0.32500000       0.00000000       0.00000000 1.0 
      0.33750000       0.00000000       0.00000000 1.0 
      0.35000000       0.00000000       0.00000000 1.0 
      0.36250000       0.00000000       0.00000000 1.0 
      0.37500000       0.00000000       0.00000000 1.0 
      0.38750000       0.00000000       0.00000000 1.0 
      0.40000000       0.00000000      -0.00000000 1.0 
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      0.42500000       0.00000000      -0.00000000 1.0 
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      0.45000000       0.00000000      -0.00000000 1.0 
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      0.50000000       0.00735248      -0.00735248 1.0 
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      0.50000000       0.02205744      -0.02205744 1.0 
      0.50000000       0.02940991      -0.02940991 1.0 
      0.50000000       0.03676239      -0.03676239 1.0 
      0.50000000       0.04411487      -0.04411487 1.0 
      0.50000000       0.05146735      -0.05146735 1.0 
      0.50000000       0.05881983      -0.05881983 1.0 
      0.50000000       0.06617231      -0.06617231 1.0 
      0.50000000       0.07352479      -0.07352479 1.0 
      0.50000000       0.08087726      -0.08087726 1.0 
      0.50000000       0.08822974      -0.08822974 1.0 
      0.50000000       0.09558222      -0.09558222 1.0 
      0.50000000       0.10293470      -0.10293470 1.0 
      0.50000000       0.11028718      -0.11028718 1.0 
      0.50000000       0.11763966      -0.11763966 1.0 
      0.50000000       0.12499214      -0.12499214 1.0 
      0.50000000       0.13234461      -0.13234461 1.0 
      0.50000000       0.13969709      -0.13969709 1.0 
      0.50000000       0.14704957      -0.14704957 1.0 
      0.50000000       0.15440205      -0.15440205 1.0 
      0.50000000       0.16175453      -0.16175453 1.0 
      0.50000000       0.16910701      -0.16910701 1.0 
      0.50000000       0.17645949      -0.17645949 1.0 
      0.50000000       0.18381196      -0.18381196 1.0 
      0.50000000       0.19116444      -0.19116444 1.0 
      0.50000000       0.19851692      -0.19851692 1.0 
      0.50000000       0.20586940      -0.20586940 1.0 
      0.50000000       0.21322188      -0.21322188 1.0 
      0.78677812       0.50000000       0.21322188 1.0 
      0.77923133       0.50000000       0.22076867 1.0 
      0.77168454       0.50000000       0.22831546 1.0 
      0.76413774       0.50000000       0.23586226 1.0 
      0.75659095       0.50000000       0.24340905 1.0 
      0.74904416       0.50000000       0.25095584 1.0 
      0.74149737       0.50000000       0.25850263 1.0 
      0.73395057       0.50000000       0.26604943 1.0 
      0.72640378       0.50000000       0.27359622 1.0 
      0.71885699       0.50000000       0.28114301 1.0 
      0.71131019       0.50000000       0.28868981 1.0 
      0.70376340       0.50000000       0.29623660 1.0 
      0.69621661       0.50000000       0.30378339 1.0 
      0.68866982       0.50000000       0.31133018 1.0 
      0.68112302       0.50000000       0.31887698 1.0 
      0.67357623       0.50000000       0.32642377 1.0 
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      0.65848265       0.50000000       0.34151735 1.0 
      0.65093585       0.50000000       0.34906415 1.0 
      0.64338906       0.50000000       0.35661094 1.0 
      0.63584227       0.50000000       0.36415773 1.0 
      0.62829548       0.50000000       0.37170452 1.0 
      0.62074868       0.50000000       0.37925132 1.0 
      0.61320189       0.50000000       0.38679811 1.0 
      0.60565510       0.50000000       0.39434490 1.0 
      0.59810830       0.50000000       0.40189170 1.0 
      0.59056151       0.50000000       0.40943849 1.0 
      0.58301472       0.50000000       0.41698528 1.0 
      0.57546793       0.50000000       0.42453207 1.0 
      0.56792113       0.50000000       0.43207887 1.0 
      0.56037434       0.50000000       0.43962566 1.0 
      0.55282755       0.50000000       0.44717245 1.0 
      0.54528076       0.50000000       0.45471924 1.0 
      0.53773396       0.50000000       0.46226604 1.0 
      0.53018717       0.50000000       0.46981283 1.0 
      0.52264038       0.50000000       0.47735962 1.0 
      0.51509359       0.50000000       0.48490641 1.0 
      0.50754679       0.50000000       0.49245321 1.0 
      0.50000000       0.50000000       0.50000000 1.0 
      0.50000000       0.50000000       0.50000000 1.0 
      0.48387097       0.48387097       0.48387097 1.0 
      0.46774194       0.46774194       0.46774194 1.0 
      0.45161290       0.45161290       0.45161290 1.0 
      0.43548387       0.43548387       0.43548387 1.0 
      0.41935484       0.41935484       0.41935484 1.0 
      0.40322581       0.40322581       0.40322581 1.0 
      0.38709677       0.38709677       0.38709677 1.0 
      0.37096774       0.37096774       0.37096774 1.0 
      0.35483871       0.35483871       0.35483871 1.0 
      0.33870968       0.33870968       0.33870968 1.0 
      0.32258065       0.32258065       0.32258065 1.0 
      0.30645161       0.30645161       0.30645161 1.0 
      0.29032258       0.29032258       0.29032258 1.0 
      0.27419355       0.27419355       0.27419355 1.0 
      0.25806452       0.25806452       0.25806452 1.0 
      0.24193548       0.24193548       0.24193548 1.0 
      0.22580645       0.22580645       0.22580645 1.0 
      0.20967742       0.20967742       0.20967742 1.0 
      0.19354839       0.19354839       0.19354839 1.0 
      0.17741935       0.17741935       0.17741935 1.0 
      0.16129032       0.16129032       0.16129032 1.0 
      0.14516129       0.14516129       0.14516129 1.0 
      0.12903226       0.12903226       0.12903226 1.0 
      0.11290323       0.11290323       0.11290323 1.0 
      0.09677419       0.09677419       0.09677419 1.0 
      0.08064516       0.08064516       0.08064516 1.0 
      0.06451613       0.06451613       0.06451613 1.0 
      0.04838710       0.04838710       0.04838710 1.0 
      0.03225806       0.03225806       0.03225806 1.0 
      0.01612903       0.01612903       0.01612903 1.0 
      0.00000000       0.00000000       0.00000000 1.0 
      0.00000000       0.00000000       0.00000000 1.0 
      0.00758747       0.00000000      -0.00758747 1.0 
      0.01517493       0.00000000      -0.01517493 1.0 
      0.02276240       0.00000000      -0.02276240 1.0 
      0.03034987       0.00000000      -0.03034987 1.0 
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      0.04552480       0.00000000      -0.04552480 1.0 
      0.05311227       0.00000000      -0.05311227 1.0 
      0.06069973       0.00000000      -0.06069973 1.0 
      0.06828720       0.00000000      -0.06828720 1.0 
      0.07587467       0.00000000      -0.07587467 1.0 
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      0.11381200       0.00000000      -0.11381200 1.0 
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      0.13657440       0.00000000      -0.13657440 1.0 
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      0.15174934       0.00000000      -0.15174934 1.0 
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      0.18209920       0.00000000      -0.18209920 1.0 
      0.18968667       0.00000000      -0.18968667 1.0 
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      0.20486160       0.00000000      -0.20486160 1.0 
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      0.22003654       0.00000000      -0.22003654 1.0 
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      0.25038640       0.00000000      -0.25038640 1.0 
      0.25797387       0.00000000      -0.25797387 1.0 
      0.26556134       0.00000000      -0.26556134 1.0 
      0.27314880       0.00000000      -0.27314880 1.0 
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      0.28832374       0.00000000      -0.28832374 1.0 
      0.29591121       0.00000000      -0.29591121 1.0 
      0.30349867       0.00000000      -0.30349867 1.0 
      0.31108614       0.00000000      -0.31108614 1.0 
      0.31867361       0.00000000      -0.31867361 1.0 
      0.32626107       0.00000000      -0.32626107 1.0 
      0.33384854       0.00000000      -0.33384854 1.0 
      0.34143601       0.00000000      -0.34143601 1.0 
      0.34902347       0.00000000      -0.34902347 1.0 
      0.35661094       0.00000000      -0.35661094 1.0 
      0.64338906       0.35661094       0.00000000 1.0 
      0.63584227       0.36415773       0.00000000 1.0 
      0.62829548       0.37170452       0.00000000 1.0 
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      0.61320189       0.38679811       0.00000000 1.0 
      0.60565510       0.39434490       0.00000000 1.0 
      0.59810830       0.40189170       0.00000000 1.0 
      0.59056151       0.40943849       0.00000000 1.0 
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      0.57546793       0.42453207       0.00000000 1.0 
      0.56792113       0.43207887      -0.00000000 1.0 
      0.56037434       0.43962566      -0.00000000 1.0 
      0.55282755       0.44717245      -0.00000000 1.0 
      0.54528076       0.45471924      -0.00000000 1.0 
      0.53773396       0.46226604      -0.00000000 1.0 
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      0.52264038       0.47735962      -0.00000000 1.0 
      0.51509359       0.48490641      -0.00000000 1.0 
      0.50754679       0.49245321      -0.00000000 1.0 
      0.50000000       0.50000000      -0.00000000 1.0 
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      0.51194909       0.51194909       0.01776849 1.0 
      0.52389818       0.52389818       0.03553698 1.0 
      0.53584727       0.53584727       0.05330547 1.0 
      0.54779635       0.54779635       0.07107396 1.0 
      0.55974544       0.55974544       0.08884245 1.0 
      0.57169453       0.57169453       0.10661094 1.0 
      0.58364362       0.58364362       0.12437943 1.0 
      0.59559271       0.59559271       0.14214792 1.0 
      0.60754180       0.60754180       0.15991641 1.0 
      0.61949088       0.61949088       0.17768490 1.0 
      0.63143997       0.63143997       0.19545339 1.0 
      0.64338906       0.64338906       0.21322188 1.0 
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      0.63904394       0.63904394       0.22191212 1.0 
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      0.63035369       0.63035369       0.23929262 1.0 
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      0.60428295       0.60428295       0.29143409 1.0 
      0.59993783       0.59993783       0.30012434 1.0 
      0.59559271       0.59559271       0.30881459 1.0 
      0.59124758       0.59124758       0.31750483 1.0 
      0.58690246       0.58690246       0.32619508 1.0 
      0.58255734       0.58255734       0.33488532 1.0 
      0.57821221       0.57821221       0.34357557 1.0 
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      0.56952197       0.56952197       0.36095606 1.0 
      0.56517685       0.56517685       0.36964631 1.0 
      0.56083172       0.56083172       0.37833655 1.0 
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      0.54779635       0.54779635       0.40440729 1.0 
      0.54345123       0.54345123       0.41309754 1.0 
      0.53910611       0.53910611       0.42178779 1.0 
      0.53476098       0.53476098       0.43047803 1.0 
      0.53041586       0.53041586       0.43916828 1.0 
      0.52607074       0.52607074       0.44785852 1.0 
      0.52172562       0.52172562       0.45654877 1.0 
      0.51738049       0.51738049       0.46523902 1.0 
      0.51303537       0.51303537       0.47392926 1.0 
      0.50869025       0.50869025       0.48261951 1.0 
      0.50434512       0.50434512       0.49130975 1.0 
      0.50000000       0.50000000       0.50000000 1.0 
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      0.52731220       0.03396295       0.03396295 1.0 
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      0.55462440       0.06792589       0.06792589 1.0 
      0.56828051       0.08490737       0.08490737 1.0 
      0.58193661       0.10188884       0.10188884 1.0 
      0.59559271       0.11887031       0.11887031 1.0 
      0.60924881       0.13585179       0.13585179 1.0 
      0.62290491       0.15283326       0.15283326 1.0 
      0.63656101       0.16981473       0.16981473 1.0 
      0.65021711       0.18679621       0.18679621 1.0 
      0.66387321       0.20377768       0.20377768 1.0 
      0.67752931       0.22075915       0.22075915 1.0 
      0.69118541       0.23774063       0.23774063 1.0 
      0.70484152       0.25472210       0.25472210 1.0 
      0.71849762       0.27170357       0.27170357 1.0 
      0.73215372       0.28868505       0.28868505 1.0 
      0.74580982       0.30566652       0.30566652 1.0 
      0.75946592       0.32264799       0.32264799 1.0 
      0.77312202       0.33962947       0.33962947 1.0 
      0.78677812       0.35661094       0.35661094 1.0 

