! Pwscf input file created with ciftopw.py 
! Compound: Ba2CuTeO6
&control
         calculation     = 'bands'
         prefix          = 'Ba2CuTeO6'
         restart_mode    = 'from_scratch'
         outdir          = './'
         wf_collect      = .true.
         verbosity       = 'high'
       /
&system
         ibrav           =  14
         celldm(1)       =           10.8149018350469994
         celldm(2)       =            1.0231097611877089
         celldm(3)       =            1.7631346674592872
         celldm(4)       =           -0.2711832407819294
         celldm(5)       =           -0.0016084520674067
         celldm(6)       =           -0.4877021600743203
         nat             =       20
         ntyp            =        4
         ecutwfc         =       47.00000000
         ecutrho         =      324.00000000
         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 
Ba 137.3270 Ba.rel-pbe-spn-rrkjus_psl.1.0.0.UPF 
Te 127.6000 Te.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
Cu  63.5460 Cu.rel-pbe-dn-rrkjus_psl.1.0.0.UPF 
ATOMIC_POSITIONS crystal
K_POINTS crystal
241
      0.00000000      -0.50000000       0.00000000 1.0 
      0.00000000      -0.48484848       0.00000000 1.0 
      0.00000000      -0.46969697       0.00000000 1.0 
      0.00000000      -0.45454545      -0.00000000 1.0 
      0.00000000      -0.43939394      -0.00000000 1.0 
      0.00000000      -0.42424242       0.00000000 1.0 
      0.00000000      -0.40909091      -0.00000000 1.0 
      0.00000000      -0.39393939       0.00000000 1.0 
      0.00000000      -0.37878788       0.00000000 1.0 
      0.00000000      -0.36363636       0.00000000 1.0 
      0.00000000      -0.34848485       0.00000000 1.0 
      0.00000000      -0.33333333      -0.00000000 1.0 
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      0.00000000      -0.24242424      -0.00000000 1.0 
      0.00000000      -0.22727273      -0.00000000 1.0 
      0.00000000      -0.21212121       0.00000000 1.0 
      0.00000000      -0.19696970      -0.00000000 1.0 
      0.00000000      -0.18181818       0.00000000 1.0 
      0.00000000      -0.16666667      -0.00000000 1.0 
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      0.00000000      -0.12121212      -0.00000000 1.0 
      0.00000000      -0.10606061       0.00000000 1.0 
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      0.17187500       0.00000000       0.00000000 1.0 
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      0.20312500      -0.00000000       0.00000000 1.0 
      0.21875000       0.00000000       0.00000000 1.0 
      0.23437500      -0.00000000       0.00000000 1.0 
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      0.35937500      -0.00000000       0.00000000 1.0 
      0.37500000       0.00000000       0.00000000 1.0 
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      0.40625000      -0.00000000       0.00000000 1.0 
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      0.43750000       0.00000000       0.00000000 1.0 
      0.45312500       0.00000000      -0.00000000 1.0 
      0.46875000      -0.00000000       0.00000000 1.0 
      0.48437500      -0.00000000       0.00000000 1.0 
      0.50000000       0.00000000       0.00000000 1.0 
      0.50000000      -0.50000000      -0.00000000 1.0 
      0.48437500      -0.48437500       0.00000000 1.0 
      0.46875000      -0.46875000      -0.00000000 1.0 
      0.45312500      -0.45312500       0.00000000 1.0 
      0.43750000      -0.43750000       0.00000000 1.0 
      0.42187500      -0.42187500       0.00000000 1.0 
      0.40625000      -0.40625000       0.00000000 1.0 
      0.39062500      -0.39062500      -0.00000000 1.0 
      0.37500000      -0.37500000       0.00000000 1.0 
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      0.34375000      -0.34375000      -0.00000000 1.0 
      0.32812500      -0.32812500       0.00000000 1.0 
      0.31250000      -0.31250000      -0.00000000 1.0 
      0.29687500      -0.29687500       0.00000000 1.0 
      0.28125000      -0.28125000      -0.00000000 1.0 
      0.26562500      -0.26562500       0.00000000 1.0 
      0.25000000      -0.25000000      -0.00000000 1.0 
      0.23437500      -0.23437500      -0.00000000 1.0 
      0.21875000      -0.21875000       0.00000000 1.0 
      0.20312500      -0.20312500       0.00000000 1.0 
      0.18750000      -0.18750000       0.00000000 1.0 
      0.17187500      -0.17187500      -0.00000000 1.0 
      0.15625000      -0.15625000      -0.00000000 1.0 
      0.14062500      -0.14062500      -0.00000000 1.0 
      0.12500000      -0.12500000      -0.00000000 1.0 
      0.10937500      -0.10937500       0.00000000 1.0 
      0.09375000      -0.09375000      -0.00000000 1.0 
      0.07812500      -0.07812500       0.00000000 1.0 
      0.06250000      -0.06250000      -0.00000000 1.0 
      0.04687500      -0.04687500      -0.00000000 1.0 
      0.03125000      -0.03125000       0.00000000 1.0 
      0.01562500      -0.01562500       0.00000000 1.0 
      0.00000000       0.00000000       0.00000000 1.0 
      0.00000000       0.00000000       0.00000000 1.0 
     -0.01470588       0.00000000       0.01470588 1.0 
     -0.02941176       0.00000000       0.02941176 1.0 
     -0.04411765       0.00000000       0.04411765 1.0 
     -0.05882353       0.00000000       0.05882353 1.0 
     -0.07352941       0.00000000       0.07352941 1.0 
     -0.08823529       0.00000000       0.08823529 1.0 
     -0.10294118       0.00000000       0.10294118 1.0 
     -0.11764706       0.00000000       0.11764706 1.0 
     -0.13235294      -0.00000000       0.13235294 1.0 
     -0.14705882       0.00000000       0.14705882 1.0 
     -0.16176471       0.00000000       0.16176471 1.0 
     -0.17647059       0.00000000       0.17647059 1.0 
     -0.19117647       0.00000000       0.19117647 1.0 
     -0.20588235       0.00000000       0.20588235 1.0 
     -0.22058824      -0.00000000       0.22058824 1.0 
     -0.23529412       0.00000000       0.23529412 1.0 
     -0.25000000       0.00000000       0.25000000 1.0 
     -0.26470588      -0.00000000       0.26470588 1.0 
     -0.27941176       0.00000000       0.27941176 1.0 
     -0.29411765       0.00000000       0.29411765 1.0 
     -0.30882353       0.00000000       0.30882353 1.0 
     -0.32352941       0.00000000       0.32352941 1.0 
     -0.33823529       0.00000000       0.33823529 1.0 
     -0.35294118       0.00000000       0.35294118 1.0 
     -0.36764706       0.00000000       0.36764706 1.0 
     -0.38235294       0.00000000       0.38235294 1.0 
     -0.39705882       0.00000000       0.39705882 1.0 
     -0.41176471       0.00000000       0.41176471 1.0 
     -0.42647059       0.00000000       0.42647059 1.0 
     -0.44117647      -0.00000000       0.44117647 1.0 
     -0.45588235       0.00000000       0.45588235 1.0 
     -0.47058824       0.00000000       0.47058824 1.0 
     -0.48529412       0.00000000       0.48529412 1.0 
     -0.50000000       0.00000000       0.50000000 1.0 
     -0.50000000      -0.50000000       0.50000000 1.0 
     -0.49074074      -0.49074074       0.49074074 1.0 
     -0.48148148      -0.48148148       0.48148148 1.0 
     -0.47222222      -0.47222222       0.47222222 1.0 
     -0.46296296      -0.46296296       0.46296296 1.0 
     -0.45370370      -0.45370370       0.45370370 1.0 
     -0.44444444      -0.44444444       0.44444444 1.0 
     -0.43518519      -0.43518519       0.43518519 1.0 
     -0.42592593      -0.42592593       0.42592593 1.0 
     -0.41666667      -0.41666667       0.41666667 1.0 
     -0.40740741      -0.40740741       0.40740741 1.0 
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     -0.38888889      -0.38888889       0.38888889 1.0 
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     -0.37037037      -0.37037037       0.37037037 1.0 
     -0.36111111      -0.36111111       0.36111111 1.0 
     -0.35185185      -0.35185185       0.35185185 1.0 
     -0.34259259      -0.34259259       0.34259259 1.0 
     -0.33333333      -0.33333333       0.33333333 1.0 
     -0.32407407      -0.32407407       0.32407407 1.0 
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     -0.30555556      -0.30555556       0.30555556 1.0 
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     -0.26851852      -0.26851852       0.26851852 1.0 
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     -0.24074074      -0.24074074       0.24074074 1.0 
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     -0.22222222      -0.22222222       0.22222222 1.0 
     -0.21296296      -0.21296296       0.21296296 1.0 
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     -0.19444444      -0.19444444       0.19444444 1.0 
     -0.18518519      -0.18518519       0.18518519 1.0 
     -0.17592593      -0.17592593       0.17592593 1.0 
     -0.16666667      -0.16666667       0.16666667 1.0 
     -0.15740741      -0.15740741       0.15740741 1.0 
     -0.14814815      -0.14814815       0.14814815 1.0 
     -0.13888889      -0.13888889       0.13888889 1.0 
     -0.12962963      -0.12962963       0.12962963 1.0 
     -0.12037037      -0.12037037       0.12037037 1.0 
     -0.11111111      -0.11111111       0.11111111 1.0 
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     -0.04629630      -0.04629630       0.04629630 1.0 
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      0.00000000       0.00000000       0.00000000 1.0 

