! Pwscf input file created with pymatgen.py 
! Compound: Ti(NbSe2)2
&control
         calculation     = 'bands'
         prefix          = 'TixNbSe2x2'
         restart_mode    = 'from_scratch'
         outdir          = './'
         wf_collect      = .true.
         verbosity       = 'high'
       /
&system
         ibrav           =  14
         celldm(1)       =           13.3957025317768537
         celldm(2)       =            1.0000000000000000
         celldm(3)       =            0.8900079138305250
         celldm(4)       =            0.4169803918654592
         celldm(5)       =            0.4169803918654592
         celldm(6)       =            0.8784566936286284
         nat             =        7
         ntyp            =        3
         ecutwfc         =       52.00000000
         ecutrho         =      576.00000000
         occupations     =  'smearing'  
         smearing        =  'f-d' 
         degauss         =        1.00000000e-03  
         noncolin        =  .true. 
         lspinorb        =  .true. 
/
&electrons
         conv_thr        =        1.00000000e-08 
         mixing_beta     =        3.00000000e-01    
   /
ATOMIC_SPECIES
Nb  92.9064 Nb.rel-pbe-spn-rrkjus_psl.1.0.0.UPF 
Se  78.9600 Se_MT_PBE.UPF 
Ti  47.8670 Ti.rel-pbe-spn-rrkjus_psl.1.0.0.UPF 
ATOMIC_POSITIONS crystal
K_POINTS crystal
365
      0.00000000       0.00000000       0.00000000 1.0 
      0.01923077       0.01923077       0.00000000 1.0 
      0.03846154       0.03846154       0.00000000 1.0 
      0.05769231       0.05769231       0.00000000 1.0 
      0.07692308       0.07692308       0.00000000 1.0 
      0.09615385       0.09615385      -0.00000000 1.0 
      0.11538462       0.11538462       0.00000000 1.0 
      0.13461538       0.13461538      -0.00000000 1.0 
      0.15384615       0.15384615       0.00000000 1.0 
      0.17307692       0.17307692       0.00000000 1.0 
      0.19230769       0.19230769      -0.00000000 1.0 
      0.21153846       0.21153846      -0.00000000 1.0 
      0.23076923       0.23076923       0.00000000 1.0 
      0.25000000       0.25000000      -0.00000000 1.0 
      0.26923077       0.26923077      -0.00000000 1.0 
      0.28846154       0.28846154      -0.00000000 1.0 
      0.30769231       0.30769231       0.00000000 1.0 
      0.32692308       0.32692308      -0.00000000 1.0 
      0.34615385       0.34615385       0.00000000 1.0 
      0.36538462       0.36538462       0.00000000 1.0 
      0.38461538       0.38461538      -0.00000000 1.0 
      0.40384615       0.40384615      -0.00000000 1.0 
      0.42307692       0.42307692      -0.00000000 1.0 
      0.44230769       0.44230769      -0.00000000 1.0 
      0.46153846       0.46153846       0.00000000 1.0 
      0.48076923       0.48076923      -0.00000000 1.0 
      0.50000000       0.50000000      -0.00000000 1.0 
      0.50000000       0.50000000      -0.00000000 1.0 
      0.50915186       0.50915186       0.01953383 1.0 
      0.51830371       0.51830371       0.03906766 1.0 
      0.52745557       0.52745557       0.05860149 1.0 
      0.53660743       0.53660743       0.07813532 1.0 
      0.54575928       0.54575928       0.09766916 1.0 
      0.55491114       0.55491114       0.11720299 1.0 
      0.56406299       0.56406299       0.13673682 1.0 
      0.57321485       0.57321485       0.15627065 1.0 
      0.58236671       0.58236671       0.17580448 1.0 
      0.59151856       0.59151856       0.19533831 1.0 
      0.60067042       0.60067042       0.21487214 1.0 
      0.60982228       0.60982228       0.23440597 1.0 
      0.61897413       0.61897413       0.25393980 1.0 
      0.62812599       0.62812599       0.27347363 1.0 
      0.63727784       0.63727784       0.29300747 1.0 
      0.64642970       0.64642970       0.31254130 1.0 
      0.65558156       0.65558156       0.33207513 1.0 
      0.66473341       0.66473341       0.35160896 1.0 
      0.67388527       0.67388527       0.37114279 1.0 
      0.67388527       0.67388527       0.37114279 1.0 
      0.66146489       0.66146489       0.38034688 1.0 
      0.64904452       0.64904452       0.38955096 1.0 
      0.63662414       0.63662414       0.39875505 1.0 
      0.62420376       0.62420376       0.40795914 1.0 
      0.61178339       0.61178339       0.41716322 1.0 
      0.59936301       0.59936301       0.42636731 1.0 
      0.58694263       0.58694263       0.43557139 1.0 
      0.57452226       0.57452226       0.44477548 1.0 
      0.56210188       0.56210188       0.45397957 1.0 
      0.54968151       0.54968151       0.46318365 1.0 
      0.53726113       0.53726113       0.47238774 1.0 
      0.52484075       0.52484075       0.48159183 1.0 
      0.51242038       0.51242038       0.49079591 1.0 
      0.50000000       0.50000000       0.50000000 1.0 
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      0.18024462      -0.18024462       0.50000000 1.0 
      0.17478266      -0.17478266       0.50000000 1.0 
      0.16932071      -0.16932071       0.50000000 1.0 
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      0.22115385       0.00000000       0.22115385 1.0 
      0.21153846       0.00000000       0.21153846 1.0 
      0.20192308       0.00000000       0.20192308 1.0 
      0.19230769       0.00000000       0.19230769 1.0 
      0.18269231      -0.00000000       0.18269231 1.0 
      0.17307692       0.00000000       0.17307692 1.0 
      0.16346154       0.00000000       0.16346154 1.0 
      0.15384615       0.00000000       0.15384615 1.0 
      0.14423077       0.00000000       0.14423077 1.0 
      0.13461538       0.00000000       0.13461538 1.0 
      0.12500000       0.00000000       0.12500000 1.0 
      0.11538462      -0.00000000       0.11538462 1.0 
      0.10576923       0.00000000       0.10576923 1.0 
      0.09615385       0.00000000       0.09615385 1.0 
      0.08653846       0.00000000       0.08653846 1.0 
      0.07692308      -0.00000000       0.07692308 1.0 
      0.06730769       0.00000000       0.06730769 1.0 
      0.05769231       0.00000000       0.05769231 1.0 
      0.04807692      -0.00000000       0.04807692 1.0 
      0.03846154       0.00000000       0.03846154 1.0 
      0.02884615       0.00000000       0.02884615 1.0 
      0.01923077       0.00000000       0.01923077 1.0 
      0.00961538      -0.00000000       0.00961538 1.0 
      0.00000000       0.00000000       0.00000000 1.0 

