! Pwscf input file created with ciftopw.py 
! Compound: Ca3Tl5
&control
         calculation     = 'bands'
         prefix          = 'Ca3Tl5'
         restart_mode    = 'from_scratch'
         outdir          = './'
         wf_collect      = .true.
         verbosity       = 'high'
       /
&system
         ibrav           =  14
         celldm(1)       =           12.4848810461794137
         celldm(2)       =            1.0000000000000000
         celldm(3)       =            1.6079095272830137
         celldm(4)       =            0.0000000000000001
         celldm(5)       =            0.0000000000000001
         celldm(6)       =           -0.1990437447367159
         nat             =       16
         ntyp            =        2
         ecutwfc         =       46.00000000
         ecutrho         =      274.00000000
         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
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
252
      0.00000000       0.00000000       0.00000000 1.0 
      0.01303122       0.01303122       0.00000000 1.0 
      0.02606244       0.02606244       0.00000000 1.0 
      0.03909365       0.03909365       0.00000000 1.0 
      0.05212487       0.05212487       0.00000000 1.0 
      0.06515609       0.06515609       0.00000000 1.0 
      0.07818731       0.07818731       0.00000000 1.0 
      0.09121852       0.09121852       0.00000000 1.0 
      0.10424974       0.10424974       0.00000000 1.0 
      0.11728096       0.11728096       0.00000000 1.0 
      0.13031218       0.13031218       0.00000000 1.0 
      0.14334339       0.14334339       0.00000000 1.0 
      0.15637461       0.15637461       0.00000000 1.0 
      0.16940583       0.16940583       0.00000000 1.0 
      0.18243705       0.18243705       0.00000000 1.0 
      0.19546826       0.19546826       0.00000000 1.0 
      0.20849948       0.20849948       0.00000000 1.0 
      0.22153070       0.22153070       0.00000000 1.0 
      0.23456192       0.23456192       0.00000000 1.0 
      0.24759314       0.24759314       0.00000000 1.0 
      0.26062435       0.26062435       0.00000000 1.0 
      0.27365557       0.27365557       0.00000000 1.0 
      0.28668679       0.28668679       0.00000000 1.0 
      0.29971801       0.29971801       0.00000000 1.0 
      0.31274922       0.31274922       0.00000000 1.0 
      0.32578044       0.32578044       0.00000000 1.0 
      0.33881166       0.33881166       0.00000000 1.0 
      0.35184288       0.35184288       0.00000000 1.0 
      0.36487409       0.36487409       0.00000000 1.0 
      0.37790531       0.37790531       0.00000000 1.0 
      0.39093653       0.39093653       0.00000000 1.0 
      0.40396775       0.40396775       0.00000000 1.0 
      0.41699896       0.41699896       0.00000000 1.0 
      0.41699896       0.41699896       0.00000000 1.0 
      0.39614902       0.42114902       0.00000000 1.0 
      0.37529907       0.42529907       0.00000000 1.0 
      0.35444912       0.42944912       0.00000000 1.0 
      0.33359917       0.43359917       0.00000000 1.0 
      0.31274922       0.43774922       0.00000000 1.0 
      0.29189928       0.44189928       0.00000000 1.0 
      0.27104933       0.44604933       0.00000000 1.0 
      0.25019938       0.45019938       0.00000000 1.0 
      0.22934943       0.45434943       0.00000000 1.0 
      0.20849948       0.45849948       0.00000000 1.0 
      0.18764953       0.46264953       0.00000000 1.0 
      0.16679959       0.46679959       0.00000000 1.0 
      0.14594964       0.47094964       0.00000000 1.0 
      0.12509969       0.47509969       0.00000000 1.0 
      0.10424974       0.47924974       0.00000000 1.0 
      0.08339979       0.48339979       0.00000000 1.0 
      0.06254984       0.48754984       0.00000000 1.0 
      0.04169990       0.49169990       0.00000000 1.0 
      0.02084995       0.49584995       0.00000000 1.0 
      0.00000000       0.50000000       0.00000000 1.0 
      0.00000000       0.50000000       0.00000000 1.0 
      0.00000000       0.50000000       0.03333333 1.0 
      0.00000000       0.50000000       0.06666667 1.0 
      0.00000000       0.50000000       0.10000000 1.0 
      0.00000000       0.50000000       0.13333333 1.0 
      0.00000000       0.50000000       0.16666667 1.0 
      0.00000000       0.50000000       0.20000000 1.0 
      0.00000000       0.50000000       0.23333333 1.0 
      0.00000000       0.50000000       0.26666667 1.0 
      0.00000000       0.50000000       0.30000000 1.0 
      0.00000000       0.50000000       0.33333333 1.0 
      0.00000000       0.50000000       0.36666667 1.0 
      0.00000000       0.50000000       0.40000000 1.0 
      0.00000000       0.50000000       0.43333333 1.0 
      0.00000000       0.50000000       0.46666667 1.0 
      0.00000000       0.50000000       0.50000000 1.0 
      0.00000000       0.50000000       0.50000000 1.0 
      0.02084995       0.49584995       0.50000000 1.0 
      0.04169990       0.49169990       0.50000000 1.0 
      0.06254984       0.48754984       0.50000000 1.0 
      0.08339979       0.48339979       0.50000000 1.0 
      0.10424974       0.47924974       0.50000000 1.0 
      0.12509969       0.47509969       0.50000000 1.0 
      0.14594964       0.47094964       0.50000000 1.0 
      0.16679959       0.46679959       0.50000000 1.0 
      0.18764953       0.46264953       0.50000000 1.0 
      0.20849948       0.45849948       0.50000000 1.0 
      0.22934943       0.45434943       0.50000000 1.0 
      0.25019938       0.45019938       0.50000000 1.0 
      0.27104933       0.44604933       0.50000000 1.0 
      0.29189928       0.44189928       0.50000000 1.0 
      0.31274922       0.43774922       0.50000000 1.0 
      0.33359917       0.43359917       0.50000000 1.0 
      0.35444912       0.42944912       0.50000000 1.0 
      0.37529907       0.42529907       0.50000000 1.0 
      0.39614902       0.42114902       0.50000000 1.0 
      0.41699896       0.41699896       0.50000000 1.0 
      0.41699896       0.41699896       0.50000000 1.0 
      0.40396775       0.40396775       0.50000000 1.0 
      0.39093653       0.39093653       0.50000000 1.0 
      0.37790531       0.37790531       0.50000000 1.0 
      0.36487409       0.36487409       0.50000000 1.0 
      0.35184288       0.35184288       0.50000000 1.0 
      0.33881166       0.33881166       0.50000000 1.0 
      0.32578044       0.32578044       0.50000000 1.0 
      0.31274922       0.31274922       0.50000000 1.0 
      0.29971801       0.29971801       0.50000000 1.0 
      0.28668679       0.28668679       0.50000000 1.0 
      0.27365557       0.27365557       0.50000000 1.0 
      0.26062435       0.26062435       0.50000000 1.0 
      0.24759314       0.24759314       0.50000000 1.0 
      0.23456192       0.23456192       0.50000000 1.0 
      0.22153070       0.22153070       0.50000000 1.0 
      0.20849948       0.20849948       0.50000000 1.0 
      0.19546826       0.19546826       0.50000000 1.0 
      0.18243705       0.18243705       0.50000000 1.0 
      0.16940583       0.16940583       0.50000000 1.0 
      0.15637461       0.15637461       0.50000000 1.0 
      0.14334339       0.14334339       0.50000000 1.0 
      0.13031218       0.13031218       0.50000000 1.0 
      0.11728096       0.11728096       0.50000000 1.0 
      0.10424974       0.10424974       0.50000000 1.0 
      0.09121852       0.09121852       0.50000000 1.0 
      0.07818731       0.07818731       0.50000000 1.0 
      0.06515609       0.06515609       0.50000000 1.0 
      0.05212487       0.05212487       0.50000000 1.0 
      0.03909365       0.03909365       0.50000000 1.0 
      0.02606244       0.02606244       0.50000000 1.0 
      0.01303122       0.01303122       0.50000000 1.0 
      0.00000000       0.00000000       0.50000000 1.0 
      0.00000000       0.00000000       0.50000000 1.0 
      0.00000000      -0.00000000       0.46666667 1.0 
     -0.00000000       0.00000000       0.43333333 1.0 
     -0.00000000      -0.00000000       0.40000000 1.0 
      0.00000000       0.00000000       0.36666667 1.0 
      0.00000000       0.00000000       0.33333333 1.0 
     -0.00000000       0.00000000       0.30000000 1.0 
      0.00000000       0.00000000       0.26666667 1.0 
      0.00000000      -0.00000000       0.23333333 1.0 
     -0.00000000      -0.00000000       0.20000000 1.0 
     -0.00000000       0.00000000       0.16666667 1.0 
     -0.00000000       0.00000000       0.13333333 1.0 
      0.00000000       0.00000000       0.10000000 1.0 
      0.00000000      -0.00000000       0.06666667 1.0 
     -0.00000000       0.00000000       0.03333333 1.0 
      0.00000000       0.00000000       0.00000000 1.0 
      0.00000000       0.00000000       0.00000000 1.0 
     -0.01612903       0.01612903       0.00000000 1.0 
     -0.03225806       0.03225806       0.00000000 1.0 
     -0.04838710       0.04838710       0.00000000 1.0 
     -0.06451613       0.06451613       0.00000000 1.0 
     -0.08064516       0.08064516       0.00000000 1.0 
     -0.09677419       0.09677419       0.00000000 1.0 
     -0.11290323       0.11290323       0.00000000 1.0 
     -0.12903226       0.12903226       0.00000000 1.0 
     -0.14516129       0.14516129       0.00000000 1.0 
     -0.16129032       0.16129032       0.00000000 1.0 
     -0.17741935       0.17741935       0.00000000 1.0 
     -0.19354839       0.19354839       0.00000000 1.0 
     -0.20967742       0.20967742       0.00000000 1.0 
     -0.22580645       0.22580645       0.00000000 1.0 
     -0.24193548       0.24193548       0.00000000 1.0 
     -0.25806452       0.25806452       0.00000000 1.0 
     -0.27419355       0.27419355       0.00000000 1.0 
     -0.29032258       0.29032258       0.00000000 1.0 
     -0.30645161       0.30645161       0.00000000 1.0 
     -0.32258065       0.32258065       0.00000000 1.0 
     -0.33870968       0.33870968       0.00000000 1.0 
     -0.35483871       0.35483871       0.00000000 1.0 
     -0.37096774       0.37096774       0.00000000 1.0 
     -0.38709677       0.38709677       0.00000000 1.0 
     -0.40322581       0.40322581       0.00000000 1.0 
     -0.41935484       0.41935484       0.00000000 1.0 
     -0.43548387       0.43548387       0.00000000 1.0 
     -0.45161290       0.45161290       0.00000000 1.0 
     -0.46774194       0.46774194       0.00000000 1.0 
     -0.48387097       0.48387097       0.00000000 1.0 
     -0.50000000       0.50000000       0.00000000 1.0 
     -0.50000000       0.50000000       0.00000000 1.0 
     -0.48814271       0.51185729       0.00000000 1.0 
     -0.47628542       0.52371458       0.00000000 1.0 
     -0.46442813       0.53557187       0.00000000 1.0 
     -0.45257084       0.54742916       0.00000000 1.0 
     -0.44071355       0.55928645       0.00000000 1.0 
     -0.42885626       0.57114374       0.00000000 1.0 
     -0.41699896       0.58300104       0.00000000 1.0 
     -0.41699896       0.58300104       0.00000000 1.0 
     -0.41699896       0.58300104       0.03333333 1.0 
     -0.41699896       0.58300104       0.06666667 1.0 
     -0.41699896       0.58300104       0.10000000 1.0 
     -0.41699896       0.58300104       0.13333333 1.0 
     -0.41699896       0.58300104       0.16666667 1.0 
     -0.41699896       0.58300104       0.20000000 1.0 
     -0.41699896       0.58300104       0.23333333 1.0 
     -0.41699896       0.58300104       0.26666667 1.0 
     -0.41699896       0.58300104       0.30000000 1.0 
     -0.41699896       0.58300104       0.33333333 1.0 
     -0.41699896       0.58300104       0.36666667 1.0 
     -0.41699896       0.58300104       0.40000000 1.0 
     -0.41699896       0.58300104       0.43333333 1.0 
     -0.41699896       0.58300104       0.46666667 1.0 
     -0.41699896       0.58300104       0.50000000 1.0 
     -0.41699896       0.58300104       0.50000000 1.0 
     -0.42885626       0.57114374       0.50000000 1.0 
     -0.44071355       0.55928645       0.50000000 1.0 
     -0.45257084       0.54742916       0.50000000 1.0 
     -0.46442813       0.53557187       0.50000000 1.0 
     -0.47628542       0.52371458       0.50000000 1.0 
     -0.48814271       0.51185729       0.50000000 1.0 
     -0.50000000       0.50000000       0.50000000 1.0 
     -0.50000000       0.50000000       0.50000000 1.0 
     -0.50000000       0.50000000       0.46666667 1.0 
     -0.50000000       0.50000000       0.43333333 1.0 
     -0.50000000       0.50000000       0.40000000 1.0 
     -0.50000000       0.50000000       0.36666667 1.0 
     -0.50000000       0.50000000       0.33333333 1.0 
     -0.50000000       0.50000000       0.30000000 1.0 
     -0.50000000       0.50000000       0.26666667 1.0 
     -0.50000000       0.50000000       0.23333333 1.0 
     -0.50000000       0.50000000       0.20000000 1.0 
     -0.50000000       0.50000000       0.16666667 1.0 
     -0.50000000       0.50000000       0.13333333 1.0 
     -0.50000000       0.50000000       0.10000000 1.0 
     -0.50000000       0.50000000       0.06666667 1.0 
     -0.50000000       0.50000000       0.03333333 1.0 
     -0.50000000       0.50000000       0.00000000 1.0 
      0.00000000       0.00000000       0.50000000 1.0 
     -0.01612903       0.01612903       0.50000000 1.0 
     -0.03225806       0.03225806       0.50000000 1.0 
     -0.04838710       0.04838710       0.50000000 1.0 
     -0.06451613       0.06451613       0.50000000 1.0 
     -0.08064516       0.08064516       0.50000000 1.0 
     -0.09677419       0.09677419       0.50000000 1.0 
     -0.11290323       0.11290323       0.50000000 1.0 
     -0.12903226       0.12903226       0.50000000 1.0 
     -0.14516129       0.14516129       0.50000000 1.0 
     -0.16129032       0.16129032       0.50000000 1.0 
     -0.17741935       0.17741935       0.50000000 1.0 
     -0.19354839       0.19354839       0.50000000 1.0 
     -0.20967742       0.20967742       0.50000000 1.0 
     -0.22580645       0.22580645       0.50000000 1.0 
     -0.24193548       0.24193548       0.50000000 1.0 
     -0.25806452       0.25806452       0.50000000 1.0 
     -0.27419355       0.27419355       0.50000000 1.0 
     -0.29032258       0.29032258       0.50000000 1.0 
     -0.30645161       0.30645161       0.50000000 1.0 
     -0.32258065       0.32258065       0.50000000 1.0 
     -0.33870968       0.33870968       0.50000000 1.0 
     -0.35483871       0.35483871       0.50000000 1.0 
     -0.37096774       0.37096774       0.50000000 1.0 
     -0.38709677       0.38709677       0.50000000 1.0 
     -0.40322581       0.40322581       0.50000000 1.0 
     -0.41935484       0.41935484       0.50000000 1.0 
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     -0.45161290       0.45161290       0.50000000 1.0 
     -0.46774194       0.46774194       0.50000000 1.0 
     -0.48387097       0.48387097       0.50000000 1.0 
     -0.50000000       0.50000000       0.50000000 1.0 

