! Pwscf input file created with ciftopw.py 
! Compound: FeCO3
&control
         calculation     = 'bands'
         prefix          = 'FeCO3'
         restart_mode    = 'from_scratch'
         outdir          = './'
         wf_collect      = .true.
         verbosity       = 'high'
       /
&system
         ibrav           =  14
         celldm(1)       =            9.8722200236085840
         celldm(2)       =            1.0000000000000000
         celldm(3)       =            1.0000000000000000
         celldm(4)       =            0.6245440310254994
         celldm(5)       =            0.6245440310254994
         celldm(6)       =            0.6245440310254994
         nat             =       10
         ntyp            =        3
         ecutwfc         =       47.00000000
         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 
Fe  55.8450 Fe.rel-pbe-n-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
300
      0.00000000       0.00000000       0.00000000 1.0 
      0.01190476       0.00000000       0.00000000 1.0 
      0.02380952       0.00000000       0.00000000 1.0 
      0.03571429       0.00000000       0.00000000 1.0 
      0.04761905       0.00000000       0.00000000 1.0 
      0.05952381       0.00000000       0.00000000 1.0 
      0.07142857       0.00000000       0.00000000 1.0 
      0.08333333       0.00000000       0.00000000 1.0 
      0.09523810       0.00000000       0.00000000 1.0 
      0.10714286       0.00000000       0.00000000 1.0 
      0.11904762       0.00000000       0.00000000 1.0 
      0.13095238       0.00000000       0.00000000 1.0 
      0.14285714       0.00000000       0.00000000 1.0 
      0.15476190       0.00000000       0.00000000 1.0 
      0.16666667       0.00000000       0.00000000 1.0 
      0.17857143       0.00000000       0.00000000 1.0 
      0.19047619       0.00000000       0.00000000 1.0 
      0.20238095      -0.00000000       0.00000000 1.0 
      0.21428571       0.00000000       0.00000000 1.0 
      0.22619048       0.00000000       0.00000000 1.0 
      0.23809524       0.00000000       0.00000000 1.0 
      0.25000000       0.00000000       0.00000000 1.0 
      0.26190476       0.00000000       0.00000000 1.0 
      0.27380952       0.00000000       0.00000000 1.0 
      0.28571429       0.00000000       0.00000000 1.0 
      0.29761905       0.00000000       0.00000000 1.0 
      0.30952381       0.00000000       0.00000000 1.0 
      0.32142857       0.00000000       0.00000000 1.0 
      0.33333333       0.00000000       0.00000000 1.0 
      0.34523810       0.00000000       0.00000000 1.0 
      0.35714286       0.00000000       0.00000000 1.0 
      0.36904762       0.00000000       0.00000000 1.0 
      0.38095238       0.00000000       0.00000000 1.0 
      0.39285714       0.00000000       0.00000000 1.0 
      0.40476190      -0.00000000       0.00000000 1.0 
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      0.50000000       0.02868546      -0.02868546 1.0 
      0.50000000       0.03585683      -0.03585683 1.0 
      0.50000000       0.04302819      -0.04302819 1.0 
      0.50000000       0.05019956      -0.05019956 1.0 
      0.50000000       0.05737092      -0.05737092 1.0 
      0.50000000       0.06454229      -0.06454229 1.0 
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      0.50000000       0.10039912      -0.10039912 1.0 
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      0.50000000       0.12191321      -0.12191321 1.0 
      0.50000000       0.12908458      -0.12908458 1.0 
      0.50000000       0.13625594      -0.13625594 1.0 
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      0.50000000       0.15059867      -0.15059867 1.0 
      0.50000000       0.15777004      -0.15777004 1.0 
      0.50000000       0.16494140      -0.16494140 1.0 
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      0.72784630       0.50000000       0.27215370 1.0 
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      0.65664433       0.50000000       0.34335567 1.0 
      0.64952413       0.50000000       0.35047587 1.0 
      0.64240394       0.50000000       0.35759606 1.0 
      0.63528374       0.50000000       0.36471626 1.0 
      0.62816354       0.50000000       0.37183646 1.0 
      0.62104334       0.50000000       0.37895666 1.0 
      0.61392315       0.50000000       0.38607685 1.0 
      0.60680295       0.50000000       0.39319705 1.0 
      0.59968275       0.50000000       0.40031725 1.0 
      0.59256256       0.50000000       0.40743744 1.0 
      0.58544236       0.50000000       0.41455764 1.0 
      0.57832216       0.50000000       0.42167784 1.0 
      0.57120197       0.50000000       0.42879803 1.0 
      0.56408177       0.50000000       0.43591823 1.0 
      0.55696157       0.50000000       0.44303843 1.0 
      0.54984138       0.50000000       0.45015862 1.0 
      0.54272118       0.50000000       0.45727882 1.0 
      0.53560098       0.50000000       0.46439902 1.0 
      0.52848079       0.50000000       0.47151921 1.0 
      0.52136059       0.50000000       0.47863941 1.0 
      0.51424039       0.50000000       0.48575961 1.0 
      0.50712020       0.50000000       0.49287980 1.0 
      0.50000000       0.50000000       0.50000000 1.0 
      0.50000000       0.50000000       0.50000000 1.0 
      0.48571429       0.48571429       0.48571429 1.0 
      0.47142857       0.47142857       0.47142857 1.0 
      0.45714286       0.45714286       0.45714286 1.0 
      0.44285714       0.44285714       0.44285714 1.0 
      0.42857143       0.42857143       0.42857143 1.0 
      0.41428571       0.41428571       0.41428571 1.0 
      0.40000000       0.40000000       0.40000000 1.0 
      0.38571429       0.38571429       0.38571429 1.0 
      0.37142857       0.37142857       0.37142857 1.0 
      0.35714286       0.35714286       0.35714286 1.0 
      0.34285714       0.34285714       0.34285714 1.0 
      0.32857143       0.32857143       0.32857143 1.0 
      0.31428571       0.31428571       0.31428571 1.0 
      0.30000000       0.30000000       0.30000000 1.0 
      0.28571429       0.28571429       0.28571429 1.0 
      0.27142857       0.27142857       0.27142857 1.0 
      0.25714286       0.25714286       0.25714286 1.0 
      0.24285714       0.24285714       0.24285714 1.0 
      0.22857143       0.22857143       0.22857143 1.0 
      0.21428571       0.21428571       0.21428571 1.0 
      0.20000000       0.20000000       0.20000000 1.0 
      0.18571429       0.18571429       0.18571429 1.0 
      0.17142857       0.17142857       0.17142857 1.0 
      0.15714286       0.15714286       0.15714286 1.0 
      0.14285714       0.14285714       0.14285714 1.0 
      0.12857143       0.12857143       0.12857143 1.0 
      0.11428571       0.11428571       0.11428571 1.0 
      0.10000000       0.10000000       0.10000000 1.0 
      0.08571429       0.08571429       0.08571429 1.0 
      0.07142857       0.07142857       0.07142857 1.0 
      0.05714286       0.05714286       0.05714286 1.0 
      0.04285714       0.04285714       0.04285714 1.0 
      0.02857143       0.02857143       0.02857143 1.0 
      0.01428571       0.01428571       0.01428571 1.0 
      0.00000000       0.00000000       0.00000000 1.0 
      0.00000000       0.00000000       0.00000000 1.0 
      0.00708149       0.00000000      -0.00708149 1.0 
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      0.09914091       0.00000000      -0.09914091 1.0 
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      0.17703733       0.00000000      -0.17703733 1.0 
      0.18411883       0.00000000      -0.18411883 1.0 
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      0.25493376       0.00000000      -0.25493376 1.0 
      0.26201526       0.00000000      -0.26201526 1.0 
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      0.29034123       0.00000000      -0.29034123 1.0 
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      0.33283019       0.00000000      -0.33283019 1.0 
      0.33991168       0.00000000      -0.33991168 1.0 
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      0.35407467       0.00000000      -0.35407467 1.0 
      0.36115616       0.00000000      -0.36115616 1.0 
      0.63884384       0.36115616       0.00000000 1.0 
      0.63190164       0.36809836       0.00000000 1.0 
      0.62495945       0.37504055       0.00000000 1.0 
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      0.60413288       0.39586712       0.00000000 1.0 
      0.59719069       0.40280931       0.00000000 1.0 
      0.59024849       0.40975151       0.00000000 1.0 
      0.58330630       0.41669370       0.00000000 1.0 
      0.57636411       0.42363589       0.00000000 1.0 
      0.56942192       0.43057808       0.00000000 1.0 
      0.56247973       0.43752027       0.00000000 1.0 
      0.55553753       0.44446247       0.00000000 1.0 
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      0.54165315       0.45834685       0.00000000 1.0 
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      0.51388438       0.48611562       0.00000000 1.0 
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      0.50000000       0.50000000       0.00000000 1.0 
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      0.50991742       0.50991742       0.01587945 1.0 
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      0.63067655       0.63067655       0.23864690 1.0 
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      0.60617470       0.60617470       0.28765060 1.0 
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      0.59800741       0.59800741       0.30398517 1.0 
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      0.58575649       0.58575649       0.32848703 1.0 
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      0.57758920       0.57758920       0.34482159 1.0 
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      0.56942192       0.56942192       0.36115616 1.0 
      0.56533828       0.56533828       0.36932345 1.0 
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      0.52858550       0.52858550       0.44282901 1.0 
      0.52450185       0.52450185       0.45099629 1.0 
      0.52041821       0.52041821       0.45916358 1.0 
      0.51633457       0.51633457       0.46733086 1.0 
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      0.50816728       0.50816728       0.48366543 1.0 
      0.50408364       0.50408364       0.49183272 1.0 
      0.50000000       0.50000000       0.50000000 1.0 
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      0.54443003       0.05778499       0.05778499 1.0 
      0.55553753       0.07223123       0.07223123 1.0 
      0.56664504       0.08667748       0.08667748 1.0 
      0.57775255       0.10112373       0.10112373 1.0 
      0.58886006       0.11556997       0.11556997 1.0 
      0.59996756       0.13001622       0.13001622 1.0 
      0.61107507       0.14446247       0.14446247 1.0 
      0.62218258       0.15890871       0.15890871 1.0 
      0.63329008       0.17335496       0.17335496 1.0 
      0.64439759       0.18780120       0.18780120 1.0 
      0.65550510       0.20224745       0.20224745 1.0 
      0.66661260       0.21669370       0.21669370 1.0 
      0.67772011       0.23113994       0.23113994 1.0 
      0.68882762       0.24558619       0.24558619 1.0 
      0.69993512       0.26003244       0.26003244 1.0 
      0.71104263       0.27447868       0.27447868 1.0 
      0.72215014       0.28892493       0.28892493 1.0 
      0.73325765       0.30337118       0.30337118 1.0 
      0.74436515       0.31781742       0.31781742 1.0 
      0.75547266       0.33226367       0.33226367 1.0 
      0.76658017       0.34670992       0.34670992 1.0 
      0.77768767       0.36115616       0.36115616 1.0 

