! Pwscf input file created with ciftopw.py 
! Compound: Li(CO)2
&control
         calculation     = 'bands'
         prefix          = 'LixCOx2'
         restart_mode    = 'from_scratch'
         outdir          = './'
         wf_collect      = .true.
         verbosity       = 'high'
       /
&system
         ibrav           =  14
         celldm(1)       =           11.2577142548126758
         celldm(2)       =            1.0000000000000000
         celldm(3)       =            0.5534865570838191
         celldm(4)       =            0.1149449052069837
         celldm(5)       =            0.1149449052069837
         celldm(6)       =           -0.2883334905109364
         nat             =       10
         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 
Li   6.9410 Li.rel-pbe-s-rrkjus_psl.1.0.0.UPF 
 C  12.0107 C.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
ATOMIC_POSITIONS crystal
K_POINTS crystal
344
      0.00000000       0.00000000       0.00000000 1.0 
      0.01108852       0.01108852       0.00070546 1.0 
      0.02217704       0.02217704       0.00141091 1.0 
      0.03326557       0.03326557       0.00211637 1.0 
      0.04435409       0.04435409       0.00282183 1.0 
      0.05544261       0.05544261       0.00352728 1.0 
      0.06653113       0.06653113       0.00423274 1.0 
      0.07761965       0.07761965       0.00493820 1.0 
      0.08870818       0.08870818       0.00564365 1.0 
      0.09979670       0.09979670       0.00634911 1.0 
      0.11088522       0.11088522       0.00705457 1.0 
      0.12197374       0.12197374       0.00776003 1.0 
      0.13306226       0.13306226       0.00846548 1.0 
      0.14415079       0.14415079       0.00917094 1.0 
      0.15523931       0.15523931       0.00987640 1.0 
      0.16632783       0.16632783       0.01058185 1.0 
      0.17741635       0.17741635       0.01128731 1.0 
      0.18850487       0.18850487       0.01199277 1.0 
      0.19959340       0.19959340       0.01269822 1.0 
      0.21068192       0.21068192       0.01340368 1.0 
      0.22177044       0.22177044       0.01410914 1.0 
      0.23285896       0.23285896       0.01481459 1.0 
      0.24394748       0.24394748       0.01552005 1.0 
      0.25503601       0.25503601       0.01622551 1.0 
      0.26612453       0.26612453       0.01693096 1.0 
      0.27721305       0.27721305       0.01763642 1.0 
      0.28830157       0.28830157       0.01834188 1.0 
      0.29939009       0.29939009       0.01904734 1.0 
      0.31047862       0.31047862       0.01975279 1.0 
      0.32156714       0.32156714       0.02045825 1.0 
      0.33265566       0.33265566       0.02116371 1.0 
      0.34374418       0.34374418       0.02186916 1.0 
      0.35483270       0.35483270       0.02257462 1.0 
      0.36592123       0.36592123       0.02328008 1.0 
      0.37700975       0.37700975       0.02398553 1.0 
      0.38809827       0.38809827       0.02469099 1.0 
      0.38809827       0.38809827       0.02469099 1.0 
      0.39023307       0.39023307       0.03497054 1.0 
      0.39236787       0.39236787       0.04525009 1.0 
      0.39450267       0.39450267       0.05552964 1.0 
      0.39663746       0.39663746       0.06580920 1.0 
      0.39877226       0.39877226       0.07608875 1.0 
      0.40090706       0.40090706       0.08636830 1.0 
      0.40304186       0.40304186       0.09664785 1.0 
      0.40517666       0.40517666       0.10692740 1.0 
      0.40731145       0.40731145       0.11720695 1.0 
      0.40944625       0.40944625       0.12748650 1.0 
      0.41158105       0.41158105       0.13776606 1.0 
      0.41371585       0.41371585       0.14804561 1.0 
      0.41585065       0.41585065       0.15832516 1.0 
      0.41798544       0.41798544       0.16860471 1.0 
      0.42012024       0.42012024       0.17888426 1.0 
      0.42225504       0.42225504       0.18916381 1.0 
      0.42438984       0.42438984       0.19944336 1.0 
      0.42652464       0.42652464       0.20972292 1.0 
      0.42865944       0.42865944       0.22000247 1.0 
      0.43079423       0.43079423       0.23028202 1.0 
      0.43292903       0.43292903       0.24056157 1.0 
      0.43506383       0.43506383       0.25084112 1.0 
      0.43719863       0.43719863       0.26112067 1.0 
      0.43933343       0.43933343       0.27140022 1.0 
      0.44146822       0.44146822       0.28167978 1.0 
      0.44360302       0.44360302       0.29195933 1.0 
      0.44573782       0.44573782       0.30223888 1.0 
      0.44787262       0.44787262       0.31251843 1.0 
      0.45000742       0.45000742       0.32279798 1.0 
      0.45214221       0.45214221       0.33307753 1.0 
      0.45427701       0.45427701       0.34335708 1.0 
      0.45641181       0.45641181       0.35363664 1.0 
      0.45854661       0.45854661       0.36391619 1.0 
      0.46068141       0.46068141       0.37419574 1.0 
      0.46281621       0.46281621       0.38447529 1.0 
      0.46495100       0.46495100       0.39475484 1.0 
      0.46708580       0.46708580       0.40503439 1.0 
      0.46922060       0.46922060       0.41531394 1.0 
      0.47135540       0.47135540       0.42559350 1.0 
      0.47349020       0.47349020       0.43587305 1.0 
      0.47562499       0.47562499       0.44615260 1.0 
      0.47775979       0.47775979       0.45643215 1.0 
      0.47989459       0.47989459       0.46671170 1.0 
      0.48202939       0.48202939       0.47699125 1.0 
      0.48416419       0.48416419       0.48727080 1.0 
      0.48629898       0.48629898       0.49755036 1.0 
      0.48629898       0.48629898       0.49755036 1.0 
      0.47647891       0.47647891       0.50026442 1.0 
      0.46665884       0.46665884       0.50297848 1.0 
      0.45683877       0.45683877       0.50569255 1.0 
      0.44701870       0.44701870       0.50840661 1.0 
      0.43719863       0.43719863       0.51112067 1.0 
      0.42737856       0.42737856       0.51383474 1.0 
      0.41755848       0.41755848       0.51654880 1.0 
      0.40773841       0.40773841       0.51926286 1.0 
      0.39791834       0.39791834       0.52197693 1.0 
      0.38809827       0.38809827       0.52469099 1.0 
      0.37827820       0.37827820       0.52740505 1.0 
      0.36845813       0.36845813       0.53011912 1.0 
      0.35863806       0.35863806       0.53283318 1.0 
      0.34881799       0.34881799       0.53554724 1.0 
      0.33899791       0.33899791       0.53826131 1.0 
      0.32917784       0.32917784       0.54097537 1.0 
      0.31935777       0.31935777       0.54368943 1.0 
      0.30953770       0.30953770       0.54640350 1.0 
      0.29971763       0.29971763       0.54911756 1.0 
      0.28989756       0.28989756       0.55183163 1.0 
      0.28989756       0.28989756       0.55183163 1.0 
      0.27874765       0.27874765       0.54983810 1.0 
      0.26759775       0.26759775       0.54784458 1.0 
      0.25644784       0.25644784       0.54585105 1.0 
      0.24529793       0.24529793       0.54385753 1.0 
      0.23414803       0.23414803       0.54186400 1.0 
      0.22299812       0.22299812       0.53987048 1.0 
      0.21184821       0.21184821       0.53787696 1.0 
      0.20069831       0.20069831       0.53588343 1.0 
      0.18954840       0.18954840       0.53388991 1.0 
      0.17839850       0.17839850       0.53189638 1.0 
      0.16724859       0.16724859       0.52990286 1.0 
      0.15609868       0.15609868       0.52790934 1.0 
      0.14494878       0.14494878       0.52591581 1.0 
      0.13379887       0.13379887       0.52392229 1.0 
      0.12264897       0.12264897       0.52192876 1.0 
      0.11149906       0.11149906       0.51993524 1.0 
      0.10034915       0.10034915       0.51794172 1.0 
      0.08919925       0.08919925       0.51594819 1.0 
      0.07804934       0.07804934       0.51395467 1.0 
      0.06689944       0.06689944       0.51196114 1.0 
      0.05574953       0.05574953       0.50996762 1.0 
      0.04459962       0.04459962       0.50797410 1.0 
      0.03344972       0.03344972       0.50598057 1.0 
      0.02229981       0.02229981       0.50398705 1.0 
      0.01114991       0.01114991       0.50199352 1.0 
      0.00000000       0.00000000       0.50000000 1.0 
      0.00000000       0.00000000       0.50000000 1.0 
      0.01515152      -0.01515152       0.50000000 1.0 
      0.03030303      -0.03030303       0.50000000 1.0 
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      0.12121212      -0.12121212       0.50000000 1.0 
      0.13636364      -0.13636364       0.50000000 1.0 
      0.15151515      -0.15151515       0.50000000 1.0 
      0.16666667      -0.16666667       0.50000000 1.0 
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      0.34848485      -0.34848485       0.50000000 1.0 
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      0.69942845      -0.30057155       0.39677062 1.0 
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      0.67381087      -0.32618913       0.27341600 1.0 
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      0.16981132      -0.00000000       0.16981132 1.0 
      0.16037736      -0.00000000       0.16037736 1.0 
      0.15094340       0.00000000       0.15094340 1.0 
      0.14150943       0.00000000       0.14150943 1.0 
      0.13207547       0.00000000       0.13207547 1.0 
      0.12264151       0.00000000       0.12264151 1.0 
      0.11320755       0.00000000       0.11320755 1.0 
      0.10377358      -0.00000000       0.10377358 1.0 
      0.09433962      -0.00000000       0.09433962 1.0 
      0.08490566      -0.00000000       0.08490566 1.0 
      0.07547170       0.00000000       0.07547170 1.0 
      0.06603774       0.00000000       0.06603774 1.0 
      0.05660377      -0.00000000       0.05660377 1.0 
      0.04716981       0.00000000       0.04716981 1.0 
      0.03773585      -0.00000000       0.03773585 1.0 
      0.02830189      -0.00000000       0.02830189 1.0 
      0.01886792       0.00000000       0.01886792 1.0 
      0.00943396       0.00000000       0.00943396 1.0 
      0.00000000       0.00000000       0.00000000 1.0 

