! Pwscf input file created with ciftopw.py 
! Compound: TiPCl9
&control
         calculation     = 'bands'
         prefix          = 'TiPCl9'
         restart_mode    = 'from_scratch'
         outdir          = './'
         wf_collect      = .true.
         verbosity       = 'high'
       /
&system
         ibrav           =  14
         celldm(1)       =           13.0636757619570005
         celldm(2)       =            1.2901779256473311
         celldm(3)       =            1.3704614494430785
         celldm(4)       =           -0.1904663312311897
         celldm(5)       =           -0.1027925367872468
         celldm(6)       =           -0.1027925367872468
         nat             =       22
         ntyp            =        3
         ecutwfc         =       80.00000000
         ecutrho         =      320.00000000
         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
Cl  35.4530 Cl.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
Ti  47.8670 Ti.rel-pbe-oncvpsp.UPF 
 P  30.9738 P.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
ATOMIC_POSITIONS crystal
K_POINTS crystal
179
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      0.00000000      -0.47368421      -0.00000000 1.0 
      0.00000000      -0.44736842       0.00000000 1.0 
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      0.00000000      -0.28947368      -0.00000000 1.0 
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      0.48214286      -0.48214286       0.00000000 1.0 
      0.46428571      -0.46428571      -0.00000000 1.0 
      0.44642857      -0.44642857      -0.00000000 1.0 
      0.42857143      -0.42857143      -0.00000000 1.0 
      0.41071429      -0.41071429      -0.00000000 1.0 
      0.39285714      -0.39285714      -0.00000000 1.0 
      0.37500000      -0.37500000      -0.00000000 1.0 
      0.35714286      -0.35714286      -0.00000000 1.0 
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      0.30357143      -0.30357143      -0.00000000 1.0 
      0.28571429      -0.28571429      -0.00000000 1.0 
      0.26785714      -0.26785714      -0.00000000 1.0 
      0.25000000      -0.25000000      -0.00000000 1.0 
      0.23214286      -0.23214286      -0.00000000 1.0 
      0.21428571      -0.21428571      -0.00000000 1.0 
      0.19642857      -0.19642857      -0.00000000 1.0 
      0.17857143      -0.17857143       0.00000000 1.0 
      0.16071429      -0.16071429      -0.00000000 1.0 
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      0.12500000      -0.12500000       0.00000000 1.0 
      0.10714286      -0.10714286      -0.00000000 1.0 
      0.08928571      -0.08928571      -0.00000000 1.0 
      0.07142857      -0.07142857      -0.00000000 1.0 
      0.05357143      -0.05357143      -0.00000000 1.0 
      0.03571429      -0.03571429      -0.00000000 1.0 
      0.01785714      -0.01785714      -0.00000000 1.0 
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      0.00000000       0.00000000       0.00000000 1.0 
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     -0.11111111      -0.00000000       0.11111111 1.0 
     -0.12962963       0.00000000       0.12962963 1.0 
     -0.14814815       0.00000000       0.14814815 1.0 
     -0.16666667       0.00000000       0.16666667 1.0 
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     -0.20370370       0.00000000       0.20370370 1.0 
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     -0.31481481       0.00000000       0.31481481 1.0 
     -0.33333333       0.00000000       0.33333333 1.0 
     -0.35185185       0.00000000       0.35185185 1.0 
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     -0.38888889       0.00000000       0.38888889 1.0 
     -0.40740741       0.00000000       0.40740741 1.0 
     -0.42592593       0.00000000       0.42592593 1.0 
     -0.44444444      -0.00000000       0.44444444 1.0 
     -0.46296296      -0.00000000       0.46296296 1.0 
     -0.48148148      -0.00000000       0.48148148 1.0 
     -0.50000000       0.00000000       0.50000000 1.0 
     -0.50000000      -0.50000000       0.50000000 1.0 
     -0.48484848      -0.48484848       0.48484848 1.0 
     -0.46969697      -0.46969697       0.46969697 1.0 
     -0.45454545      -0.45454545       0.45454545 1.0 
     -0.43939394      -0.43939394       0.43939394 1.0 
     -0.42424242      -0.42424242       0.42424242 1.0 
     -0.40909091      -0.40909091       0.40909091 1.0 
     -0.39393939      -0.39393939       0.39393939 1.0 
     -0.37878788      -0.37878788       0.37878788 1.0 
     -0.36363636      -0.36363636       0.36363636 1.0 
     -0.34848485      -0.34848485       0.34848485 1.0 
     -0.33333333      -0.33333333       0.33333333 1.0 
     -0.31818182      -0.31818182       0.31818182 1.0 
     -0.30303030      -0.30303030       0.30303030 1.0 
     -0.28787879      -0.28787879       0.28787879 1.0 
     -0.27272727      -0.27272727       0.27272727 1.0 
     -0.25757576      -0.25757576       0.25757576 1.0 
     -0.24242424      -0.24242424       0.24242424 1.0 
     -0.22727273      -0.22727273       0.22727273 1.0 
     -0.21212121      -0.21212121       0.21212121 1.0 
     -0.19696970      -0.19696970       0.19696970 1.0 
     -0.18181818      -0.18181818       0.18181818 1.0 
     -0.16666667      -0.16666667       0.16666667 1.0 
     -0.15151515      -0.15151515       0.15151515 1.0 
     -0.13636364      -0.13636364       0.13636364 1.0 
     -0.12121212      -0.12121212       0.12121212 1.0 
     -0.10606061      -0.10606061       0.10606061 1.0 
     -0.09090909      -0.09090909       0.09090909 1.0 
     -0.07575758      -0.07575758       0.07575758 1.0 
     -0.06060606      -0.06060606       0.06060606 1.0 
     -0.04545455      -0.04545455       0.04545455 1.0 
     -0.03030303      -0.03030303       0.03030303 1.0 
     -0.01515152      -0.01515152       0.01515152 1.0 
      0.00000000       0.00000000       0.00000000 1.0 
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      0.00000000       0.00000000       0.05555556 1.0 
      0.00000000       0.00000000       0.08333333 1.0 
      0.00000000       0.00000000       0.11111111 1.0 
      0.00000000       0.00000000       0.13888889 1.0 
      0.00000000       0.00000000       0.16666667 1.0 
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      0.00000000       0.00000000       0.33333333 1.0 
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      0.00000000      -0.02173913       0.02173913 1.0 
      0.00000000       0.00000000       0.00000000 1.0 

