! Pwscf input file created with ciftopw.py 
! Compound: CoH3(CN)6
&control
         calculation     = 'bands'
         prefix          = 'CoH3xCNx6'
         restart_mode    = 'from_scratch'
         outdir          = './'
         wf_collect      = .true.
         verbosity       = 'high'
       /
&system
         ibrav           =  14
         celldm(1)       =           12.1528278352590018
         celldm(2)       =            1.0000000000000000
         celldm(3)       =            0.8855543461359041
         celldm(4)       =            0.0000000000000001
         celldm(5)       =            0.0000000000000001
         celldm(6)       =           -0.4999999999999998
         nat             =       16
         ntyp            =        4
         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
 H   1.0079 H.rel-pbe-rrkjus_psl.1.0.0.UPF 
Co  58.9332 Co.rel-pbe-oncvpsp.UPF 
 C  12.0107 C.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
 N  14.0067 N.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
ATOMIC_POSITIONS crystal
K_POINTS crystal
251
      0.00000000       0.00000000       0.00000000 1.0 
      0.01724138      -0.00000000       0.00000000 1.0 
      0.03448276      -0.00000000       0.00000000 1.0 
      0.05172414      -0.00000000       0.00000000 1.0 
      0.06896552      -0.00000000       0.00000000 1.0 
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      0.10344828      -0.00000000       0.00000000 1.0 
      0.12068966      -0.00000000       0.00000000 1.0 
      0.13793103      -0.00000000       0.00000000 1.0 
      0.15517241      -0.00000000       0.00000000 1.0 
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      0.18965517       0.00000000       0.00000000 1.0 
      0.20689655      -0.00000000       0.00000000 1.0 
      0.22413793      -0.00000000       0.00000000 1.0 
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      0.36206897      -0.00000000       0.00000000 1.0 
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      0.43103448      -0.00000000       0.00000000 1.0 
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      0.50000000      -0.00000000       0.00000000 1.0 
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      0.49019608       0.01960784       0.00000000 1.0 
      0.48039216       0.03921569       0.00000000 1.0 
      0.47058824       0.05882353       0.00000000 1.0 
      0.46078431       0.07843137       0.00000000 1.0 
      0.45098039       0.09803922       0.00000000 1.0 
      0.44117647       0.11764706       0.00000000 1.0 
      0.43137255       0.13725490       0.00000000 1.0 
      0.42156863       0.15686275       0.00000000 1.0 
      0.41176471       0.17647059       0.00000000 1.0 
      0.40196078       0.19607843       0.00000000 1.0 
      0.39215686       0.21568627       0.00000000 1.0 
      0.38235294       0.23529412       0.00000000 1.0 
      0.37254902       0.25490196       0.00000000 1.0 
      0.36274510       0.27450980       0.00000000 1.0 
      0.35294118       0.29411765       0.00000000 1.0 
      0.34313725       0.31372549       0.00000000 1.0 
      0.33333333       0.33333333       0.00000000 1.0 
      0.33333333       0.33333333       0.00000000 1.0 
      0.32323232       0.32323232       0.00000000 1.0 
      0.31313131       0.31313131       0.00000000 1.0 
      0.30303030       0.30303030       0.00000000 1.0 
      0.29292929       0.29292929       0.00000000 1.0 
      0.28282828       0.28282828       0.00000000 1.0 
      0.27272727       0.27272727       0.00000000 1.0 
      0.26262626       0.26262626       0.00000000 1.0 
      0.25252525       0.25252525       0.00000000 1.0 
      0.24242424       0.24242424       0.00000000 1.0 
      0.23232323       0.23232323       0.00000000 1.0 
      0.22222222       0.22222222       0.00000000 1.0 
      0.21212121       0.21212121       0.00000000 1.0 
      0.20202020       0.20202020       0.00000000 1.0 
      0.19191919       0.19191919       0.00000000 1.0 
      0.18181818       0.18181818       0.00000000 1.0 
      0.17171717       0.17171717       0.00000000 1.0 
      0.16161616       0.16161616       0.00000000 1.0 
      0.15151515       0.15151515       0.00000000 1.0 
      0.14141414       0.14141414       0.00000000 1.0 
      0.13131313       0.13131313       0.00000000 1.0 
      0.12121212       0.12121212       0.00000000 1.0 
      0.11111111       0.11111111       0.00000000 1.0 
      0.10101010       0.10101010       0.00000000 1.0 
      0.09090909       0.09090909       0.00000000 1.0 
      0.08080808       0.08080808       0.00000000 1.0 
      0.07070707       0.07070707       0.00000000 1.0 
      0.06060606       0.06060606       0.00000000 1.0 
      0.05050505       0.05050505       0.00000000 1.0 
      0.04040404       0.04040404       0.00000000 1.0 
      0.03030303       0.03030303       0.00000000 1.0 
      0.02020202       0.02020202       0.00000000 1.0 
      0.01010101       0.01010101       0.00000000 1.0 
      0.00000000       0.00000000       0.00000000 1.0 
      0.00000000       0.00000000       0.00000000 1.0 
      0.00000000       0.00000000       0.01785714 1.0 
      0.00000000       0.00000000       0.03571429 1.0 
      0.00000000       0.00000000       0.05357143 1.0 
      0.00000000       0.00000000       0.07142857 1.0 
      0.00000000       0.00000000       0.08928571 1.0 
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      0.00000000       0.00000000       0.16071429 1.0 
      0.00000000       0.00000000       0.17857143 1.0 
      0.00000000       0.00000000       0.19642857 1.0 
      0.00000000       0.00000000       0.21428571 1.0 
      0.00000000       0.00000000       0.23214286 1.0 
      0.00000000       0.00000000       0.25000000 1.0 
      0.00000000       0.00000000       0.26785714 1.0 
      0.00000000       0.00000000       0.28571429 1.0 
      0.00000000       0.00000000       0.30357143 1.0 
      0.00000000       0.00000000       0.32142857 1.0 
      0.00000000       0.00000000       0.33928571 1.0 
      0.00000000       0.00000000       0.35714286 1.0 
      0.00000000       0.00000000       0.37500000 1.0 
      0.00000000       0.00000000       0.39285714 1.0 
      0.00000000       0.00000000       0.41071429 1.0 
      0.00000000       0.00000000       0.42857143 1.0 
      0.00000000       0.00000000       0.44642857 1.0 
      0.00000000       0.00000000       0.46428571 1.0 
      0.00000000       0.00000000       0.48214286 1.0 
      0.00000000       0.00000000       0.50000000 1.0 
      0.00000000       0.00000000       0.50000000 1.0 
      0.01724138      -0.00000000       0.50000000 1.0 
      0.03448276      -0.00000000       0.50000000 1.0 
      0.05172414      -0.00000000       0.50000000 1.0 
      0.06896552      -0.00000000       0.50000000 1.0 
      0.08620690      -0.00000000       0.50000000 1.0 
      0.10344828      -0.00000000       0.50000000 1.0 
      0.12068966      -0.00000000       0.50000000 1.0 
      0.13793103      -0.00000000       0.50000000 1.0 
      0.15517241      -0.00000000       0.50000000 1.0 
      0.17241379      -0.00000000       0.50000000 1.0 
      0.18965517       0.00000000       0.50000000 1.0 
      0.20689655      -0.00000000       0.50000000 1.0 
      0.22413793      -0.00000000       0.50000000 1.0 
      0.24137931      -0.00000000       0.50000000 1.0 
      0.25862069      -0.00000000       0.50000000 1.0 
      0.27586207      -0.00000000       0.50000000 1.0 
      0.29310345      -0.00000000       0.50000000 1.0 
      0.31034483      -0.00000000       0.50000000 1.0 
      0.32758621       0.00000000       0.50000000 1.0 
      0.34482759      -0.00000000       0.50000000 1.0 
      0.36206897      -0.00000000       0.50000000 1.0 
      0.37931034       0.00000000       0.50000000 1.0 
      0.39655172      -0.00000000       0.50000000 1.0 
      0.41379310      -0.00000000       0.50000000 1.0 
      0.43103448      -0.00000000       0.50000000 1.0 
      0.44827586      -0.00000000       0.50000000 1.0 
      0.46551724      -0.00000000       0.50000000 1.0 
      0.48275862      -0.00000000       0.50000000 1.0 
      0.50000000      -0.00000000       0.50000000 1.0 
      0.50000000      -0.00000000       0.50000000 1.0 
      0.49019608       0.01960784       0.50000000 1.0 
      0.48039216       0.03921569       0.50000000 1.0 
      0.47058824       0.05882353       0.50000000 1.0 
      0.46078431       0.07843137       0.50000000 1.0 
      0.45098039       0.09803922       0.50000000 1.0 
      0.44117647       0.11764706       0.50000000 1.0 
      0.43137255       0.13725490       0.50000000 1.0 
      0.42156863       0.15686275       0.50000000 1.0 
      0.41176471       0.17647059       0.50000000 1.0 
      0.40196078       0.19607843       0.50000000 1.0 
      0.39215686       0.21568627       0.50000000 1.0 
      0.38235294       0.23529412       0.50000000 1.0 
      0.37254902       0.25490196       0.50000000 1.0 
      0.36274510       0.27450980       0.50000000 1.0 
      0.35294118       0.29411765       0.50000000 1.0 
      0.34313725       0.31372549       0.50000000 1.0 
      0.33333333       0.33333333       0.50000000 1.0 
      0.33333333       0.33333333       0.50000000 1.0 
      0.32323232       0.32323232       0.50000000 1.0 
      0.31313131       0.31313131       0.50000000 1.0 
      0.30303030       0.30303030       0.50000000 1.0 
      0.29292929       0.29292929       0.50000000 1.0 
      0.28282828       0.28282828       0.50000000 1.0 
      0.27272727       0.27272727       0.50000000 1.0 
      0.26262626       0.26262626       0.50000000 1.0 
      0.25252525       0.25252525       0.50000000 1.0 
      0.24242424       0.24242424       0.50000000 1.0 
      0.23232323       0.23232323       0.50000000 1.0 
      0.22222222       0.22222222       0.50000000 1.0 
      0.21212121       0.21212121       0.50000000 1.0 
      0.20202020       0.20202020       0.50000000 1.0 
      0.19191919       0.19191919       0.50000000 1.0 
      0.18181818       0.18181818       0.50000000 1.0 
      0.17171717       0.17171717       0.50000000 1.0 
      0.16161616       0.16161616       0.50000000 1.0 
      0.15151515       0.15151515       0.50000000 1.0 
      0.14141414       0.14141414       0.50000000 1.0 
      0.13131313       0.13131313       0.50000000 1.0 
      0.12121212       0.12121212       0.50000000 1.0 
      0.11111111       0.11111111       0.50000000 1.0 
      0.10101010       0.10101010       0.50000000 1.0 
      0.09090909       0.09090909       0.50000000 1.0 
      0.08080808       0.08080808       0.50000000 1.0 
      0.07070707       0.07070707       0.50000000 1.0 
      0.06060606       0.06060606       0.50000000 1.0 
      0.05050505       0.05050505       0.50000000 1.0 
      0.04040404       0.04040404       0.50000000 1.0 
      0.03030303       0.03030303       0.50000000 1.0 
      0.02020202       0.02020202       0.50000000 1.0 
      0.01010101       0.01010101       0.50000000 1.0 
      0.00000000       0.00000000       0.50000000 1.0 
      0.50000000      -0.00000000       0.50000000 1.0 
      0.50000000      -0.00000000       0.48214286 1.0 
      0.50000000      -0.00000000       0.46428571 1.0 
      0.50000000      -0.00000000       0.44642857 1.0 
      0.50000000      -0.00000000       0.42857143 1.0 
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      0.50000000      -0.00000000       0.39285714 1.0 
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      0.50000000      -0.00000000       0.33928571 1.0 
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      0.50000000      -0.00000000       0.30357143 1.0 
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      0.50000000      -0.00000000       0.25000000 1.0 
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      0.50000000      -0.00000000       0.21428571 1.0 
      0.50000000      -0.00000000       0.19642857 1.0 
      0.50000000      -0.00000000       0.17857143 1.0 
      0.50000000      -0.00000000       0.16071429 1.0 
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      0.50000000      -0.00000000       0.08928571 1.0 
      0.50000000      -0.00000000       0.07142857 1.0 
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      0.50000000      -0.00000000       0.03571429 1.0 
      0.50000000      -0.00000000       0.01785714 1.0 
      0.50000000      -0.00000000       0.00000000 1.0 
      0.33333333       0.33333333       0.00000000 1.0 
      0.33333333       0.33333333       0.01785714 1.0 
      0.33333333       0.33333333       0.03571429 1.0 
      0.33333333       0.33333333       0.05357143 1.0 
      0.33333333       0.33333333       0.07142857 1.0 
      0.33333333       0.33333333       0.08928571 1.0 
      0.33333333       0.33333333       0.10714286 1.0 
      0.33333333       0.33333333       0.12500000 1.0 
      0.33333333       0.33333333       0.14285714 1.0 
      0.33333333       0.33333333       0.16071429 1.0 
      0.33333333       0.33333333       0.17857143 1.0 
      0.33333333       0.33333333       0.19642857 1.0 
      0.33333333       0.33333333       0.21428571 1.0 
      0.33333333       0.33333333       0.23214286 1.0 
      0.33333333       0.33333333       0.25000000 1.0 
      0.33333333       0.33333333       0.26785714 1.0 
      0.33333333       0.33333333       0.28571429 1.0 
      0.33333333       0.33333333       0.30357143 1.0 
      0.33333333       0.33333333       0.32142857 1.0 
      0.33333333       0.33333333       0.33928571 1.0 
      0.33333333       0.33333333       0.35714286 1.0 
      0.33333333       0.33333333       0.37500000 1.0 
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      0.33333333       0.33333333       0.41071429 1.0 
      0.33333333       0.33333333       0.42857143 1.0 
      0.33333333       0.33333333       0.44642857 1.0 
      0.33333333       0.33333333       0.46428571 1.0 
      0.33333333       0.33333333       0.48214286 1.0 
      0.33333333       0.33333333       0.50000000 1.0 

