! Pwscf input file created with ciftopw.py 
! Compound: CaTl2O4
&control
         calculation     = 'bands'
         prefix          = 'CaTl2O4'
         restart_mode    = 'from_scratch'
         outdir          = './'
         wf_collect      = .true.
         verbosity       = 'high'
       /
&system
         ibrav           =  14
         celldm(1)       =           10.8779723298873279
         celldm(2)       =            1.0000000000000002
         celldm(3)       =            1.8204163458224303
         celldm(4)       =            0.0000000000000001
         celldm(5)       =            0.0000000000000001
         celldm(6)       =           -0.8331271509210950
         nat             =       14
         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 
Tl 204.3833 Tl.rel-pbe-dn-rrkjus_psl.1.0.0.UPF 
Ca  40.0780 Ca.rel-pbe-spn-rrkjus_psl.1.0.0.UPF 
ATOMIC_POSITIONS crystal
K_POINTS crystal
350
      0.00000000       0.00000000       0.00000000 1.0 
      0.00524535       0.00524535       0.00000000 1.0 
      0.01049069       0.01049069       0.00000000 1.0 
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      0.02098138       0.02098138       0.00000000 1.0 
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      0.09966156       0.09966156       0.00000000 1.0 
      0.10490690       0.10490690       0.00000000 1.0 
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      0.13113363       0.13113363       0.00000000 1.0 
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      0.14162432       0.14162432       0.00000000 1.0 
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      0.15211501       0.15211501       0.00000000 1.0 
      0.15736035       0.15736035       0.00000000 1.0 
      0.16260570       0.16260570       0.00000000 1.0 
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      0.22030450       0.22030450       0.00000000 1.0 
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      0.23079519       0.23079519       0.00000000 1.0 
      0.23604053       0.23604053       0.00000000 1.0 
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      0.24653122       0.24653122       0.00000000 1.0 
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      0.20002250       0.33335583       0.00000000 1.0 
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      0.20002250       0.33335583       0.50000000 1.0 
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      0.23639022       0.30305689       0.50000000 1.0 
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      0.20456846       0.20456846       0.50000000 1.0 
      0.19932312       0.19932312       0.50000000 1.0 
      0.19407777       0.19407777       0.50000000 1.0 
      0.18883243       0.18883243       0.50000000 1.0 
      0.18358708       0.18358708       0.50000000 1.0 
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      0.17309639       0.17309639       0.50000000 1.0 
      0.16785104       0.16785104       0.50000000 1.0 
      0.16260570       0.16260570       0.50000000 1.0 
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      0.14686966       0.14686966       0.50000000 1.0 
      0.14162432       0.14162432       0.50000000 1.0 
      0.13637897       0.13637897       0.50000000 1.0 
      0.13113363       0.13113363       0.50000000 1.0 
      0.12588828       0.12588828       0.50000000 1.0 
      0.12064294       0.12064294       0.50000000 1.0 
      0.11539759       0.11539759       0.50000000 1.0 
      0.11015225       0.11015225       0.50000000 1.0 
      0.10490690       0.10490690       0.50000000 1.0 
      0.09966156       0.09966156       0.50000000 1.0 
      0.09441621       0.09441621       0.50000000 1.0 
      0.08917087       0.08917087       0.50000000 1.0 
      0.08392552       0.08392552       0.50000000 1.0 
      0.07868018       0.07868018       0.50000000 1.0 
      0.07343483       0.07343483       0.50000000 1.0 
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      0.05769880       0.05769880       0.50000000 1.0 
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     -0.39655172       0.39655172       0.50000000 1.0 
     -0.41379310       0.41379310       0.50000000 1.0 
     -0.43103448       0.43103448       0.50000000 1.0 
     -0.44827586       0.44827586       0.50000000 1.0 
     -0.46551724       0.46551724       0.50000000 1.0 
     -0.48275862       0.48275862       0.50000000 1.0 
     -0.50000000       0.50000000       0.50000000 1.0 

