! Pwscf input file created with ciftopw.py 
! Compound: TaAlO4
&control
         calculation     = 'bands'
         prefix          = 'TaAlO4'
         restart_mode    = 'from_scratch'
         outdir          = './'
         wf_collect      = .true.
         verbosity       = 'high'
       /
&system
         ibrav           =  14
         celldm(1)       =           12.0081790423900578
         celldm(2)       =            1.0000000000000000
         celldm(3)       =            1.0148785140561478
         celldm(4)       =            0.2909384826743444
         celldm(5)       =            0.2909384826743444
         celldm(6)       =            0.8234460907781125
         nat             =       12
         ntyp            =        3
         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 
Ta 180.9479 Ta.rel-pbe-spn-rrkjus_psl.1.0.0.UPF 
Al  26.9815 Al.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
ATOMIC_POSITIONS crystal
K_POINTS crystal
350
      0.00000000       0.00000000       0.00000000 1.0 
      0.01785714       0.01785714       0.00000000 1.0 
      0.03571429       0.03571429       0.00000000 1.0 
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      0.12500000       0.12500000       0.00000000 1.0 
      0.14285714       0.14285714       0.00000000 1.0 
      0.16071429       0.16071429       0.00000000 1.0 
      0.17857143       0.17857143       0.00000000 1.0 
      0.19642857       0.19642857      -0.00000000 1.0 
      0.21428571       0.21428571       0.00000000 1.0 
      0.23214286       0.23214286       0.00000000 1.0 
      0.25000000       0.25000000       0.00000000 1.0 
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      0.33928571       0.33928571       0.00000000 1.0 
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      0.37500000       0.37500000       0.00000000 1.0 
      0.39285714       0.39285714      -0.00000000 1.0 
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      0.50000000       0.50000000       0.00000000 1.0 
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      0.50562288       0.50562288       0.01961426 1.0 
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      0.52249153       0.52249153       0.07845705 1.0 
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      0.53936019       0.53936019       0.13729984 1.0 
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      0.55622884       0.55622884       0.19614262 1.0 
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      0.56747460       0.56747460       0.23537115 1.0 
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      0.57872037       0.57872037       0.27459967 1.0 
      0.58434325       0.58434325       0.29421394 1.0 
      0.58996614       0.58996614       0.31382820 1.0 
      0.59558902       0.59558902       0.33344246 1.0 
      0.60121190       0.60121190       0.35305672 1.0 
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      0.59615131       0.59615131       0.38540389 1.0 
      0.58546783       0.58546783       0.39813679 1.0 
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      0.56410087       0.56410087       0.42360259 1.0 
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      0.09183673       0.00000000       0.09183673 1.0 
      0.08163265      -0.00000000       0.08163265 1.0 
      0.07142857       0.00000000       0.07142857 1.0 
      0.06122449       0.00000000       0.06122449 1.0 
      0.05102041      -0.00000000       0.05102041 1.0 
      0.04081633      -0.00000000       0.04081633 1.0 
      0.03061224      -0.00000000       0.03061224 1.0 
      0.02040816       0.00000000       0.02040816 1.0 
      0.01020408       0.00000000       0.01020408 1.0 
      0.00000000       0.00000000       0.00000000 1.0 

