! Pwscf input file created with ciftopw.py 
! Compound: Nb(Te2I3)2
&control
         calculation     = 'bands'
         prefix          = 'NbxTe2I3x2'
         restart_mode    = 'from_scratch'
         outdir          = './'
         wf_collect      = .true.
         verbosity       = 'high'
       /
&system
         ibrav           =  14
         celldm(1)       =           14.7738777820020015
         celldm(2)       =            1.3889741621898184
         celldm(3)       =            1.5437452033768226
         celldm(4)       =           -0.3699089158670485
         celldm(5)       =           -0.2870261592258036
         celldm(6)       =           -0.1562620785232032
         nat             =       22
         ntyp            =        3
         ecutwfc         =       48.00000000
         ecutrho         =      267.00000000
         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
Nb  92.9064 Nb.rel-pbe-spn-rrkjus_psl.1.0.0.UPF 
Te 127.6000 Te.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
 I 126.9045 I.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
ATOMIC_POSITIONS crystal
K_POINTS crystal
152
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      0.00000000      -0.47058824       0.00000000 1.0 
      0.00000000      -0.44117647       0.00000000 1.0 
      0.00000000      -0.41176471       0.00000000 1.0 
      0.00000000      -0.38235294       0.00000000 1.0 
      0.00000000      -0.35294118       0.00000000 1.0 
      0.00000000      -0.32352941       0.00000000 1.0 
      0.00000000      -0.29411765       0.00000000 1.0 
      0.00000000      -0.26470588       0.00000000 1.0 
      0.00000000      -0.23529412       0.00000000 1.0 
      0.00000000      -0.20588235       0.00000000 1.0 
      0.00000000      -0.17647059      -0.00000000 1.0 
      0.00000000      -0.14705882       0.00000000 1.0 
      0.00000000      -0.11764706       0.00000000 1.0 
      0.00000000      -0.08823529       0.00000000 1.0 
      0.00000000      -0.05882353      -0.00000000 1.0 
      0.00000000      -0.02941176       0.00000000 1.0 
      0.00000000       0.00000000       0.00000000 1.0 
      0.00000000       0.00000000       0.00000000 1.0 
      0.02272727      -0.00000000       0.00000000 1.0 
      0.04545455      -0.00000000       0.00000000 1.0 
      0.06818182      -0.00000000       0.00000000 1.0 
      0.09090909      -0.00000000       0.00000000 1.0 
      0.11363636      -0.00000000       0.00000000 1.0 
      0.13636364      -0.00000000       0.00000000 1.0 
      0.15909091      -0.00000000       0.00000000 1.0 
      0.18181818      -0.00000000       0.00000000 1.0 
      0.20454545      -0.00000000       0.00000000 1.0 
      0.22727273      -0.00000000       0.00000000 1.0 
      0.25000000      -0.00000000       0.00000000 1.0 
      0.27272727      -0.00000000       0.00000000 1.0 
      0.29545455      -0.00000000       0.00000000 1.0 
      0.31818182      -0.00000000       0.00000000 1.0 
      0.34090909       0.00000000       0.00000000 1.0 
      0.36363636      -0.00000000       0.00000000 1.0 
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      0.40909091      -0.00000000       0.00000000 1.0 
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      0.45454545      -0.00000000       0.00000000 1.0 
      0.47727273      -0.00000000       0.00000000 1.0 
      0.50000000      -0.00000000       0.00000000 1.0 
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      0.47916667      -0.47916667      -0.00000000 1.0 
      0.45833333      -0.45833333       0.00000000 1.0 
      0.43750000      -0.43750000       0.00000000 1.0 
      0.41666667      -0.41666667      -0.00000000 1.0 
      0.39583333      -0.39583333       0.00000000 1.0 
      0.37500000      -0.37500000       0.00000000 1.0 
      0.35416667      -0.35416667       0.00000000 1.0 
      0.33333333      -0.33333333       0.00000000 1.0 
      0.31250000      -0.31250000      -0.00000000 1.0 
      0.29166667      -0.29166667      -0.00000000 1.0 
      0.27083333      -0.27083333       0.00000000 1.0 
      0.25000000      -0.25000000       0.00000000 1.0 
      0.22916667      -0.22916667       0.00000000 1.0 
      0.20833333      -0.20833333       0.00000000 1.0 
      0.18750000      -0.18750000       0.00000000 1.0 
      0.16666667      -0.16666667       0.00000000 1.0 
      0.14583333      -0.14583333      -0.00000000 1.0 
      0.12500000      -0.12500000      -0.00000000 1.0 
      0.10416667      -0.10416667       0.00000000 1.0 
      0.08333333      -0.08333333      -0.00000000 1.0 
      0.06250000      -0.06250000      -0.00000000 1.0 
      0.04166667      -0.04166667       0.00000000 1.0 
      0.02083333      -0.02083333      -0.00000000 1.0 
      0.00000000       0.00000000       0.00000000 1.0 
      0.00000000       0.00000000       0.00000000 1.0 
     -0.02272727       0.00000000       0.02272727 1.0 
     -0.04545455       0.00000000       0.04545455 1.0 
     -0.06818182       0.00000000       0.06818182 1.0 
     -0.09090909       0.00000000       0.09090909 1.0 
     -0.11363636       0.00000000       0.11363636 1.0 
     -0.13636364       0.00000000       0.13636364 1.0 
     -0.15909091       0.00000000       0.15909091 1.0 
     -0.18181818       0.00000000       0.18181818 1.0 
     -0.20454545       0.00000000       0.20454545 1.0 
     -0.22727273       0.00000000       0.22727273 1.0 
     -0.25000000       0.00000000       0.25000000 1.0 
     -0.27272727       0.00000000       0.27272727 1.0 
     -0.29545455       0.00000000       0.29545455 1.0 
     -0.31818182       0.00000000       0.31818182 1.0 
     -0.34090909       0.00000000       0.34090909 1.0 
     -0.36363636       0.00000000       0.36363636 1.0 
     -0.38636364       0.00000000       0.38636364 1.0 
     -0.40909091       0.00000000       0.40909091 1.0 
     -0.43181818       0.00000000       0.43181818 1.0 
     -0.45454545       0.00000000       0.45454545 1.0 
     -0.47727273       0.00000000       0.47727273 1.0 
     -0.50000000       0.00000000       0.50000000 1.0 
     -0.50000000      -0.50000000       0.50000000 1.0 
     -0.48148148      -0.48148148       0.48148148 1.0 
     -0.46296296      -0.46296296       0.46296296 1.0 
     -0.44444444      -0.44444444       0.44444444 1.0 
     -0.42592593      -0.42592593       0.42592593 1.0 
     -0.40740741      -0.40740741       0.40740741 1.0 
     -0.38888889      -0.38888889       0.38888889 1.0 
     -0.37037037      -0.37037037       0.37037037 1.0 
     -0.35185185      -0.35185185       0.35185185 1.0 
     -0.33333333      -0.33333333       0.33333333 1.0 
     -0.31481481      -0.31481481       0.31481481 1.0 
     -0.29629630      -0.29629630       0.29629630 1.0 
     -0.27777778      -0.27777778       0.27777778 1.0 
     -0.25925926      -0.25925926       0.25925926 1.0 
     -0.24074074      -0.24074074       0.24074074 1.0 
     -0.22222222      -0.22222222       0.22222222 1.0 
     -0.20370370      -0.20370370       0.20370370 1.0 
     -0.18518519      -0.18518519       0.18518519 1.0 
     -0.16666667      -0.16666667       0.16666667 1.0 
     -0.14814815      -0.14814815       0.14814815 1.0 
     -0.12962963      -0.12962963       0.12962963 1.0 
     -0.11111111      -0.11111111       0.11111111 1.0 
     -0.09259259      -0.09259259       0.09259259 1.0 
     -0.07407407      -0.07407407       0.07407407 1.0 
     -0.05555556      -0.05555556       0.05555556 1.0 
     -0.03703704      -0.03703704       0.03703704 1.0 
     -0.01851852      -0.01851852       0.01851852 1.0 
      0.00000000       0.00000000       0.00000000 1.0 
      0.00000000       0.00000000       0.00000000 1.0 
      0.00000000       0.00000000       0.03125000 1.0 
      0.00000000       0.00000000       0.06250000 1.0 
      0.00000000       0.00000000       0.09375000 1.0 
      0.00000000       0.00000000       0.12500000 1.0 
      0.00000000       0.00000000       0.15625000 1.0 
      0.00000000       0.00000000       0.18750000 1.0 
      0.00000000       0.00000000       0.21875000 1.0 
      0.00000000       0.00000000       0.25000000 1.0 
      0.00000000       0.00000000       0.28125000 1.0 
      0.00000000       0.00000000       0.31250000 1.0 
      0.00000000       0.00000000       0.34375000 1.0 
      0.00000000       0.00000000       0.37500000 1.0 
      0.00000000       0.00000000       0.40625000 1.0 
      0.00000000       0.00000000       0.43750000 1.0 
      0.00000000       0.00000000       0.46875000 1.0 
      0.00000000       0.00000000       0.50000000 1.0 
      0.00000000      -0.50000000       0.50000000 1.0 
      0.00000000      -0.47058824       0.47058824 1.0 
      0.00000000      -0.44117647       0.44117647 1.0 
      0.00000000      -0.41176471       0.41176471 1.0 
      0.00000000      -0.38235294       0.38235294 1.0 
      0.00000000      -0.35294118       0.35294118 1.0 
      0.00000000      -0.32352941       0.32352941 1.0 
      0.00000000      -0.29411765       0.29411765 1.0 
      0.00000000      -0.26470588       0.26470588 1.0 
      0.00000000      -0.23529412       0.23529412 1.0 
      0.00000000      -0.20588235       0.20588235 1.0 
      0.00000000      -0.17647059       0.17647059 1.0 
      0.00000000      -0.14705882       0.14705882 1.0 
      0.00000000      -0.11764706       0.11764706 1.0 
      0.00000000      -0.08823529       0.08823529 1.0 
      0.00000000      -0.05882353       0.05882353 1.0 
      0.00000000      -0.02941176       0.02941176 1.0 
      0.00000000       0.00000000       0.00000000 1.0 

