! Pwscf input file created with ciftopw.py 
! Compound: Ba(CO)4
&control
         calculation     = 'bands'
         prefix          = 'BaxCOx4'
         restart_mode    = 'from_scratch'
         outdir          = './'
         wf_collect      = .true.
         verbosity       = 'high'
       /
&system
         ibrav           =  14
         celldm(1)       =           14.4794666249495254
         celldm(2)       =            1.0000000000000000
         celldm(3)       =            1.0000000000000002
         celldm(4)       =           -0.6555640365259741
         celldm(5)       =           -0.6555640365259741
         celldm(6)       =            0.3111280730519482
         nat             =       18
         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
Ba 137.3270 Ba.rel-pbe-spn-rrkjus_psl.1.0.0.UPF 
 O  15.9994 O.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
247
      0.00000000       0.00000000       0.00000000 1.0 
      0.00000000       0.00000000       0.01428571 1.0 
      0.00000000       0.00000000       0.02857143 1.0 
      0.00000000       0.00000000       0.04285714 1.0 
      0.00000000       0.00000000       0.05714286 1.0 
      0.00000000       0.00000000       0.07142857 1.0 
      0.00000000       0.00000000       0.08571429 1.0 
      0.00000000       0.00000000       0.10000000 1.0 
      0.00000000       0.00000000       0.11428571 1.0 
      0.00000000       0.00000000       0.12857143 1.0 
      0.00000000       0.00000000       0.14285714 1.0 
      0.00000000       0.00000000       0.15714286 1.0 
      0.00000000       0.00000000       0.17142857 1.0 
      0.00000000       0.00000000       0.18571429 1.0 
      0.00000000       0.00000000       0.20000000 1.0 
      0.00000000       0.00000000       0.21428571 1.0 
      0.00000000       0.00000000       0.22857143 1.0 
      0.00000000       0.00000000       0.24285714 1.0 
      0.00000000       0.00000000       0.25714286 1.0 
      0.00000000       0.00000000       0.27142857 1.0 
      0.00000000       0.00000000       0.28571429 1.0 
      0.00000000       0.00000000       0.30000000 1.0 
      0.00000000       0.00000000       0.31428571 1.0 
      0.00000000       0.00000000       0.32857143 1.0 
      0.00000000       0.00000000       0.34285714 1.0 
      0.00000000       0.00000000       0.35714286 1.0 
      0.00000000       0.00000000       0.37142857 1.0 
      0.00000000       0.00000000       0.38571429 1.0 
      0.00000000       0.00000000       0.40000000 1.0 
      0.00000000       0.00000000       0.41428571 1.0 
      0.00000000       0.00000000       0.42857143 1.0 
      0.00000000       0.00000000       0.44285714 1.0 
      0.00000000       0.00000000       0.45714286 1.0 
      0.00000000       0.00000000       0.47142857 1.0 
      0.00000000       0.00000000       0.48571429 1.0 
      0.00000000       0.00000000       0.50000000 1.0 
      0.00000000       0.00000000       0.50000000 1.0 
     -0.01313510       0.01313510       0.50000000 1.0 
     -0.02627020       0.02627020       0.50000000 1.0 
     -0.03940530       0.03940530       0.50000000 1.0 
     -0.05254040       0.05254040       0.50000000 1.0 
     -0.06567550       0.06567550       0.50000000 1.0 
     -0.07881060       0.07881060       0.50000000 1.0 
     -0.09194570       0.09194570       0.50000000 1.0 
     -0.10508080       0.10508080       0.50000000 1.0 
     -0.11821590       0.11821590       0.50000000 1.0 
     -0.13135100       0.13135100       0.50000000 1.0 
     -0.13135100       0.13135100       0.50000000 1.0 
     -0.14105229       0.14105229       0.49029871 1.0 
     -0.15075358       0.15075358       0.48059742 1.0 
     -0.16045487       0.16045487       0.47089613 1.0 
     -0.17015616       0.17015616       0.46119484 1.0 
     -0.17985745       0.17985745       0.45149355 1.0 
     -0.18955874       0.18955874       0.44179226 1.0 
     -0.19926003       0.19926003       0.43209097 1.0 
     -0.20896131       0.20896131       0.42238968 1.0 
     -0.21866260       0.21866260       0.41268839 1.0 
     -0.22836389       0.22836389       0.40298710 1.0 
     -0.23806518       0.23806518       0.39328582 1.0 
     -0.24776647       0.24776647       0.38358453 1.0 
     -0.25746776       0.25746776       0.37388324 1.0 
     -0.26716905       0.26716905       0.36418195 1.0 
     -0.27687034       0.27687034       0.35448066 1.0 
     -0.28657163       0.28657163       0.34477937 1.0 
     -0.29627292       0.29627292       0.33507808 1.0 
     -0.30597421       0.30597421       0.32537679 1.0 
     -0.31567550       0.31567550       0.31567550 1.0 
     -0.31567550       0.31567550       0.31567550 1.0 
     -0.30581064       0.30581064       0.30581064 1.0 
     -0.29594578       0.29594578       0.29594578 1.0 
     -0.28608092       0.28608092       0.28608092 1.0 
     -0.27621606       0.27621606       0.27621606 1.0 
     -0.26635120       0.26635120       0.26635120 1.0 
     -0.25648634       0.25648634       0.25648634 1.0 
     -0.24662148       0.24662148       0.24662148 1.0 
     -0.23675662       0.23675662       0.23675662 1.0 
     -0.22689177       0.22689177       0.22689177 1.0 
     -0.21702691       0.21702691       0.21702691 1.0 
     -0.20716205       0.20716205       0.20716205 1.0 
     -0.19729719       0.19729719       0.19729719 1.0 
     -0.18743233       0.18743233       0.18743233 1.0 
     -0.17756747       0.17756747       0.17756747 1.0 
     -0.16770261       0.16770261       0.16770261 1.0 
     -0.15783775       0.15783775       0.15783775 1.0 
     -0.14797289       0.14797289       0.14797289 1.0 
     -0.13810803       0.13810803       0.13810803 1.0 
     -0.12824317       0.12824317       0.12824317 1.0 
     -0.11837831       0.11837831       0.11837831 1.0 
     -0.10851345       0.10851345       0.10851345 1.0 
     -0.09864859       0.09864859       0.09864859 1.0 
     -0.08878373       0.08878373       0.08878373 1.0 
     -0.07891887       0.07891887       0.07891887 1.0 
     -0.06905402       0.06905402       0.06905402 1.0 
     -0.05918916       0.05918916       0.05918916 1.0 
     -0.04932430       0.04932430       0.04932430 1.0 
     -0.03945944       0.03945944       0.03945944 1.0 
     -0.02959458       0.02959458       0.02959458 1.0 
     -0.01972972       0.01972972       0.01972972 1.0 
     -0.00986486       0.00986486       0.00986486 1.0 
      0.00000000       0.00000000       0.00000000 1.0 
      0.00000000       0.00000000       0.00000000 1.0 
      0.01923077       0.01923077      -0.01923077 1.0 
      0.03846154       0.03846154      -0.03846154 1.0 
      0.05769231       0.05769231      -0.05769231 1.0 
      0.07692308       0.07692308      -0.07692308 1.0 
      0.09615385       0.09615385      -0.09615385 1.0 
      0.11538462       0.11538462      -0.11538462 1.0 
      0.13461538       0.13461538      -0.13461538 1.0 
      0.15384615       0.15384615      -0.15384615 1.0 
      0.17307692       0.17307692      -0.17307692 1.0 
      0.19230769       0.19230769      -0.19230769 1.0 
      0.21153846       0.21153846      -0.21153846 1.0 
      0.23076923       0.23076923      -0.23076923 1.0 
      0.25000000       0.25000000      -0.25000000 1.0 
      0.26923077       0.26923077      -0.26923077 1.0 
      0.28846154       0.28846154      -0.28846154 1.0 
      0.30769231       0.30769231      -0.30769231 1.0 
      0.32692308       0.32692308      -0.32692308 1.0 
      0.34615385       0.34615385      -0.34615385 1.0 
      0.36538462       0.36538462      -0.36538462 1.0 
      0.38461538       0.38461538      -0.38461538 1.0 
      0.40384615       0.40384615      -0.40384615 1.0 
      0.42307692       0.42307692      -0.42307692 1.0 
      0.44230769       0.44230769      -0.44230769 1.0 
      0.46153846       0.46153846      -0.46153846 1.0 
      0.48076923       0.48076923      -0.48076923 1.0 
      0.50000000       0.50000000      -0.50000000 1.0 
      0.50000000       0.50000000      -0.50000000 1.0 
      0.49029871       0.50970129      -0.49029871 1.0 
      0.48059742       0.51940258      -0.48059742 1.0 
      0.47089613       0.52910387      -0.47089613 1.0 
      0.46119484       0.53880516      -0.46119484 1.0 
      0.45149355       0.54850645      -0.45149355 1.0 
      0.44179226       0.55820774      -0.44179226 1.0 
      0.43209097       0.56790903      -0.43209097 1.0 
      0.42238968       0.57761032      -0.42238968 1.0 
      0.41268839       0.58731161      -0.41268839 1.0 
      0.40298710       0.59701290      -0.40298710 1.0 
      0.39328582       0.60671418      -0.39328582 1.0 
      0.38358453       0.61641547      -0.38358453 1.0 
      0.37388324       0.62611676      -0.37388324 1.0 
      0.36418195       0.63581805      -0.36418195 1.0 
      0.35448066       0.64551934      -0.35448066 1.0 
      0.34477937       0.65522063      -0.34477937 1.0 
      0.33507808       0.66492192      -0.33507808 1.0 
      0.32537679       0.67462321      -0.32537679 1.0 
      0.31567550       0.68432450      -0.31567550 1.0 
      0.31567550       0.68432450      -0.31567550 1.0 
      0.29463047       0.67203620      -0.29463047 1.0 
      0.27358543       0.65974790      -0.27358543 1.0 
      0.25254040       0.64745960      -0.25254040 1.0 
      0.23149537       0.63517130      -0.23149537 1.0 
      0.21045033       0.62288300      -0.21045033 1.0 
      0.18940530       0.61059470      -0.18940530 1.0 
      0.16836027       0.59830640      -0.16836027 1.0 
      0.14731523       0.58601810      -0.14731523 1.0 
      0.12627020       0.57372980      -0.12627020 1.0 
      0.10522517       0.56144150      -0.10522517 1.0 
      0.08418013       0.54915320      -0.08418013 1.0 
      0.06313510       0.53686490      -0.06313510 1.0 
      0.04209007       0.52457660      -0.04209007 1.0 
      0.02104503       0.51228830      -0.02104503 1.0 
      0.00000000       0.50000000       0.00000000 1.0 
      0.00000000       0.50000000       0.00000000 1.0 
      0.01000000       0.49000000       0.01000000 1.0 
      0.02000000       0.48000000       0.02000000 1.0 
      0.03000000       0.47000000       0.03000000 1.0 
      0.04000000       0.46000000       0.04000000 1.0 
      0.05000000       0.45000000       0.05000000 1.0 
      0.06000000       0.44000000       0.06000000 1.0 
      0.07000000       0.43000000       0.07000000 1.0 
      0.08000000       0.42000000       0.08000000 1.0 
      0.09000000       0.41000000       0.09000000 1.0 
      0.10000000       0.40000000       0.10000000 1.0 
      0.11000000       0.39000000       0.11000000 1.0 
      0.12000000       0.38000000       0.12000000 1.0 
      0.13000000       0.37000000       0.13000000 1.0 
      0.14000000       0.36000000       0.14000000 1.0 
      0.15000000       0.35000000       0.15000000 1.0 
      0.16000000       0.34000000       0.16000000 1.0 
      0.17000000       0.33000000       0.17000000 1.0 
      0.18000000       0.32000000       0.18000000 1.0 
      0.19000000       0.31000000       0.19000000 1.0 
      0.20000000       0.30000000       0.20000000 1.0 
      0.21000000       0.29000000       0.21000000 1.0 
      0.22000000       0.28000000       0.22000000 1.0 
      0.23000000       0.27000000       0.23000000 1.0 
      0.24000000       0.26000000       0.24000000 1.0 
      0.25000000       0.25000000       0.25000000 1.0 
      0.25000000       0.25000000       0.25000000 1.0 
      0.26562500       0.26562500       0.22616556 1.0 
      0.28125000       0.28125000       0.20233113 1.0 
      0.29687500       0.29687500       0.17849669 1.0 
      0.31250000       0.31250000       0.15466225 1.0 
      0.32812500       0.32812500       0.13082781 1.0 
      0.34375000       0.34375000       0.10699338 1.0 
      0.35937500       0.35937500       0.08315894 1.0 
      0.37500000       0.37500000       0.05932450 1.0 
      0.39062500       0.39062500       0.03549006 1.0 
      0.40625000       0.40625000       0.01165563 1.0 
      0.42187500       0.42187500      -0.01217881 1.0 
      0.43750000       0.43750000      -0.03601325 1.0 
      0.45312500       0.45312500      -0.05984769 1.0 
      0.46875000       0.46875000      -0.08368212 1.0 
      0.48437500       0.48437500      -0.10751656 1.0 
      0.50000000       0.50000000      -0.13135100 1.0 
      0.50000000       0.50000000      -0.13135100 1.0 
      0.50000000       0.50000000      -0.14552981 1.0 
      0.50000000       0.50000000      -0.15970861 1.0 
      0.50000000       0.50000000      -0.17388742 1.0 
      0.50000000       0.50000000      -0.18806623 1.0 
      0.50000000       0.50000000      -0.20224504 1.0 
      0.50000000       0.50000000      -0.21642385 1.0 
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      0.50000000       0.50000000      -0.24478146 1.0 
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      0.50000000       0.50000000      -0.30149669 1.0 
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      0.50000000       0.50000000      -0.37239073 1.0 
      0.50000000       0.50000000      -0.38656954 1.0 
      0.50000000       0.50000000      -0.40074835 1.0 
      0.50000000       0.50000000      -0.41492715 1.0 
      0.50000000       0.50000000      -0.42910596 1.0 
      0.50000000       0.50000000      -0.44328477 1.0 
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      0.50000000       0.50000000      -0.47164238 1.0 
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      0.50000000       0.50000000      -0.50000000 1.0 
      0.00000000       0.00000000       0.50000000 1.0 
      0.01923077       0.01923077       0.48076923 1.0 
      0.03846154       0.03846154       0.46153846 1.0 
      0.05769231       0.05769231       0.44230769 1.0 
      0.07692308       0.07692308       0.42307692 1.0 
      0.09615385       0.09615385       0.40384615 1.0 
      0.11538462       0.11538462       0.38461538 1.0 
      0.13461538       0.13461538       0.36538462 1.0 
      0.15384615       0.15384615       0.34615385 1.0 
      0.17307692       0.17307692       0.32692308 1.0 
      0.19230769       0.19230769       0.30769231 1.0 
      0.21153846       0.21153846       0.28846154 1.0 
      0.23076923       0.23076923       0.26923077 1.0 
      0.25000000       0.25000000       0.25000000 1.0 

