! Pwscf input file created with ciftopw.py 
! Compound: BaTi2O5
&control
         calculation     = 'bands'
         prefix          = 'BaTi2O5'
         restart_mode    = 'from_scratch'
         outdir          = './'
         wf_collect      = .true.
         verbosity       = 'high'
       /
&system
         ibrav           =  14
         celldm(1)       =           16.3868927999839791
         celldm(2)       =            1.0000000000000000
         celldm(3)       =            1.0851551769782362
         celldm(4)       =            0.2195963509933735
         celldm(5)       =            0.2195963509933735
         celldm(6)       =            0.8973025756733978
         nat             =       24
         ntyp            =        3
         ecutwfc         =       80.00000000
         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
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 
Ti  47.8670 Ti.rel-pbe-oncvpsp.UPF 
ATOMIC_POSITIONS crystal
K_POINTS crystal
314
      0.00000000       0.00000000       0.00000000 1.0 
      0.02500000       0.02500000      -0.00000000 1.0 
      0.05000000       0.05000000      -0.00000000 1.0 
      0.07500000       0.07500000       0.00000000 1.0 
      0.10000000       0.10000000      -0.00000000 1.0 
      0.12500000       0.12500000      -0.00000000 1.0 
      0.15000000       0.15000000       0.00000000 1.0 
      0.17500000       0.17500000       0.00000000 1.0 
      0.20000000       0.20000000      -0.00000000 1.0 
      0.22500000       0.22500000       0.00000000 1.0 
      0.25000000       0.25000000      -0.00000000 1.0 
      0.27500000       0.27500000      -0.00000000 1.0 
      0.30000000       0.30000000       0.00000000 1.0 
      0.32500000       0.32500000       0.00000000 1.0 
      0.35000000       0.35000000       0.00000000 1.0 
      0.37500000       0.37500000       0.00000000 1.0 
      0.40000000       0.40000000      -0.00000000 1.0 
      0.42500000       0.42500000       0.00000000 1.0 
      0.45000000       0.45000000       0.00000000 1.0 
      0.47500000       0.47500000       0.00000000 1.0 
      0.50000000       0.50000000      -0.00000000 1.0 
      0.50000000       0.50000000      -0.00000000 1.0 
      0.50570166       0.50570166       0.02817528 1.0 
      0.51140332       0.51140332       0.05635055 1.0 
      0.51710499       0.51710499       0.08452583 1.0 
      0.52280665       0.52280665       0.11270110 1.0 
      0.52850831       0.52850831       0.14087638 1.0 
      0.53420997       0.53420997       0.16905165 1.0 
      0.53991163       0.53991163       0.19722693 1.0 
      0.54561329       0.54561329       0.22540220 1.0 
      0.55131496       0.55131496       0.25357748 1.0 
      0.55701662       0.55701662       0.28175275 1.0 
      0.56271828       0.56271828       0.30992803 1.0 
      0.56841994       0.56841994       0.33810331 1.0 
      0.57412160       0.57412160       0.36627858 1.0 
      0.57982326       0.57982326       0.39445386 1.0 
      0.57982326       0.57982326       0.39445386 1.0 
      0.56651939       0.56651939       0.41204488 1.0 
      0.55321551       0.55321551       0.42963590 1.0 
      0.53991163       0.53991163       0.44722693 1.0 
      0.52660775       0.52660775       0.46481795 1.0 
      0.51330388       0.51330388       0.48240898 1.0 
      0.50000000       0.50000000       0.50000000 1.0 
      0.50000000       0.50000000       0.50000000 1.0 
      0.50619265       0.49380735       0.50000000 1.0 
      0.51238530       0.48761470       0.50000000 1.0 
      0.51857795       0.48142205       0.50000000 1.0 
      0.52477060       0.47522940       0.50000000 1.0 
      0.53096325       0.46903675       0.50000000 1.0 
      0.53715590       0.46284410       0.50000000 1.0 
      0.54334855       0.45665145       0.50000000 1.0 
      0.54954120       0.45045880       0.50000000 1.0 
      0.55573385       0.44426615       0.50000000 1.0 
      0.56192650       0.43807350       0.50000000 1.0 
      0.56811915       0.43188085       0.50000000 1.0 
      0.57431180       0.42568820       0.50000000 1.0 
      0.58050445       0.41949555       0.50000000 1.0 
      0.58669710       0.41330290       0.50000000 1.0 
      0.59288975       0.40711025       0.50000000 1.0 
      0.59908241       0.40091759       0.50000000 1.0 
      0.60527506       0.39472494       0.50000000 1.0 
      0.61146771       0.38853229       0.50000000 1.0 
      0.61766036       0.38233964       0.50000000 1.0 
      0.62385301       0.37614699       0.50000000 1.0 
      0.63004566       0.36995434       0.50000000 1.0 
      0.63623831       0.36376169       0.50000000 1.0 
      0.64243096       0.35756904       0.50000000 1.0 
      0.64862361       0.35137639       0.50000000 1.0 
      0.65481626       0.34518374       0.50000000 1.0 
      0.66100891       0.33899109       0.50000000 1.0 
      0.66720156       0.33279844       0.50000000 1.0 
      0.67339421       0.32660579       0.50000000 1.0 
      0.67958686       0.32041314       0.50000000 1.0 
      0.68577951       0.31422049       0.50000000 1.0 
      0.69197216       0.30802784       0.50000000 1.0 
      0.69816481       0.30183519       0.50000000 1.0 
      0.70435746       0.29564254       0.50000000 1.0 
      0.71055011       0.28944989       0.50000000 1.0 
      0.71674276       0.28325724       0.50000000 1.0 
      0.72293541       0.27706459       0.50000000 1.0 
      0.72912806       0.27087194       0.50000000 1.0 
      0.73532071       0.26467929       0.50000000 1.0 
      0.74151336       0.25848664       0.50000000 1.0 
      0.25848664      -0.25848664       0.50000000 1.0 
      0.25233219      -0.25233219       0.50000000 1.0 
      0.24617775      -0.24617775       0.50000000 1.0 
      0.24002331      -0.24002331       0.50000000 1.0 
      0.23386886      -0.23386886       0.50000000 1.0 
      0.22771442      -0.22771442       0.50000000 1.0 
      0.22155998      -0.22155998       0.50000000 1.0 
      0.21540553      -0.21540553       0.50000000 1.0 
      0.20925109      -0.20925109       0.50000000 1.0 
      0.20309664      -0.20309664       0.50000000 1.0 
      0.19694220      -0.19694220       0.50000000 1.0 
      0.19078776      -0.19078776       0.50000000 1.0 
      0.18463331      -0.18463331       0.50000000 1.0 
      0.17847887      -0.17847887       0.50000000 1.0 
      0.17232443      -0.17232443       0.50000000 1.0 
      0.16616998      -0.16616998       0.50000000 1.0 
      0.16001554      -0.16001554       0.50000000 1.0 
      0.15386109      -0.15386109       0.50000000 1.0 
      0.14770665      -0.14770665       0.50000000 1.0 
      0.14155221      -0.14155221       0.50000000 1.0 
      0.13539776      -0.13539776       0.50000000 1.0 
      0.12924332      -0.12924332       0.50000000 1.0 
      0.12308888      -0.12308888       0.50000000 1.0 
      0.11693443      -0.11693443       0.50000000 1.0 
      0.11077999      -0.11077999       0.50000000 1.0 
      0.10462554      -0.10462554       0.50000000 1.0 
      0.09847110      -0.09847110       0.50000000 1.0 
      0.09231666      -0.09231666       0.50000000 1.0 
      0.08616221      -0.08616221       0.50000000 1.0 
      0.08000777      -0.08000777       0.50000000 1.0 
      0.07385333      -0.07385333       0.50000000 1.0 
      0.06769888      -0.06769888       0.50000000 1.0 
      0.06154444      -0.06154444       0.50000000 1.0 
      0.05538999      -0.05538999       0.50000000 1.0 
      0.04923555      -0.04923555       0.50000000 1.0 
      0.04308111      -0.04308111       0.50000000 1.0 
      0.03692666      -0.03692666       0.50000000 1.0 
      0.03077222      -0.03077222       0.50000000 1.0 
      0.02461778      -0.02461778       0.50000000 1.0 
      0.01846333      -0.01846333       0.50000000 1.0 
      0.01230889      -0.01230889       0.50000000 1.0 
      0.00615444      -0.00615444       0.50000000 1.0 
      0.00000000       0.00000000       0.50000000 1.0 
      0.00000000       0.00000000       0.50000000 1.0 
      0.02626105       0.02626105       0.50659663 1.0 
      0.05252209       0.05252209       0.51319327 1.0 
      0.07878314       0.07878314       0.51978990 1.0 
      0.10504418       0.10504418       0.52638654 1.0 
      0.13130523       0.13130523       0.53298317 1.0 
      0.15756628       0.15756628       0.53957980 1.0 
      0.18382732       0.18382732       0.54617644 1.0 
      0.21008837       0.21008837       0.55277307 1.0 
      0.23634941       0.23634941       0.55936971 1.0 
      0.26261046       0.26261046       0.56596634 1.0 
      0.28887151       0.28887151       0.57256297 1.0 
      0.31513255       0.31513255       0.57915961 1.0 
      0.34139360       0.34139360       0.58575624 1.0 
      0.36765464       0.36765464       0.59235288 1.0 
      0.39391569       0.39391569       0.59894951 1.0 
      0.42017674       0.42017674       0.60554614 1.0 
      0.50000000       0.50000000      -0.00000000 1.0 
      0.50620377       0.49379623      -0.00000000 1.0 
      0.51240754       0.48759246      -0.00000000 1.0 
      0.51861131       0.48138869      -0.00000000 1.0 
      0.52481508       0.47518492      -0.00000000 1.0 
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      0.53722262       0.46277738      -0.00000000 1.0 
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      0.58685278       0.41314722      -0.00000000 1.0 
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      0.71713195       0.28286805      -0.00000000 1.0 
      0.72333572       0.27666428      -0.00000000 1.0 
      0.72953949       0.27046051      -0.00000000 1.0 
      0.73574326       0.26425674      -0.00000000 1.0 
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      0.25811123      -0.25811123       0.00000000 1.0 
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      0.12291011      -0.12291011       0.00000000 1.0 
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      0.00000000       0.00000000       0.00000000 1.0 

