! Pwscf input file created with ciftopw.py 
! Compound: TlInTe2
&control
         calculation     = 'bands'
         prefix          = 'TlInTe2'
         restart_mode    = 'from_scratch'
         outdir          = './'
         wf_collect      = .true.
         verbosity       = 'high'
       /
&system
         ibrav           =  14
         celldm(1)       =           13.2234523978016725
         celldm(2)       =            1.0000000000000000
         celldm(3)       =            1.0000000000000002
         celldm(4)       =           -0.2632799710397328
         celldm(5)       =           -0.2632799710397328
         celldm(6)       =           -0.4734400579205343
         nat             =        8
         ntyp            =        3
         ecutwfc         =       45.00000000
         ecutrho         =      217.00000000
         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 
Te 127.6000 Te.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
In 114.8180 In.rel-pbe-dn-rrkjus_psl.1.0.0.UPF 
ATOMIC_POSITIONS crystal
K_POINTS crystal
242
      0.00000000       0.00000000       0.00000000 1.0 
      0.00000000       0.00000000       0.01851852 1.0 
      0.00000000       0.00000000       0.03703704 1.0 
      0.00000000       0.00000000       0.05555556 1.0 
      0.00000000       0.00000000       0.07407407 1.0 
      0.00000000       0.00000000       0.09259259 1.0 
      0.00000000       0.00000000       0.11111111 1.0 
      0.00000000       0.00000000       0.12962963 1.0 
      0.00000000       0.00000000       0.14814815 1.0 
      0.00000000       0.00000000       0.16666667 1.0 
      0.00000000       0.00000000       0.18518519 1.0 
      0.00000000      -0.00000000       0.20370370 1.0 
      0.00000000       0.00000000       0.22222222 1.0 
      0.00000000       0.00000000       0.24074074 1.0 
      0.00000000       0.00000000       0.25925926 1.0 
      0.00000000      -0.00000000       0.27777778 1.0 
      0.00000000       0.00000000       0.29629630 1.0 
      0.00000000       0.00000000       0.31481481 1.0 
      0.00000000       0.00000000       0.33333333 1.0 
      0.00000000      -0.00000000       0.35185185 1.0 
      0.00000000       0.00000000       0.37037037 1.0 
     -0.00000000       0.00000000       0.38888889 1.0 
      0.00000000      -0.00000000       0.40740741 1.0 
      0.00000000       0.00000000       0.42592593 1.0 
      0.00000000       0.00000000       0.44444444 1.0 
      0.00000000       0.00000000       0.46296296 1.0 
      0.00000000       0.00000000       0.48148148 1.0 
      0.00000000       0.00000000       0.50000000 1.0 
      0.00000000       0.00000000       0.50000000 1.0 
     -0.01851852       0.01851852       0.50000000 1.0 
     -0.03703704       0.03703704       0.50000000 1.0 
     -0.05555556       0.05555556       0.50000000 1.0 
     -0.07407407       0.07407407       0.50000000 1.0 
     -0.09259259       0.09259259       0.50000000 1.0 
     -0.11111111       0.11111111       0.50000000 1.0 
     -0.12962963       0.12962963       0.50000000 1.0 
     -0.14814815       0.14814815       0.50000000 1.0 
     -0.16666667       0.16666667       0.50000000 1.0 
     -0.18518519       0.18518519       0.50000000 1.0 
     -0.20370370       0.20370370       0.50000000 1.0 
     -0.22222222       0.22222222       0.50000000 1.0 
     -0.24074074       0.24074074       0.50000000 1.0 
     -0.25925926       0.25925926       0.50000000 1.0 
     -0.27777778       0.27777778       0.50000000 1.0 
     -0.29629630       0.29629630       0.50000000 1.0 
     -0.31481481       0.31481481       0.50000000 1.0 
     -0.33333333       0.33333333       0.50000000 1.0 
     -0.35185185       0.35185185       0.50000000 1.0 
     -0.37037037       0.37037037       0.50000000 1.0 
     -0.38888889       0.38888889       0.50000000 1.0 
     -0.40740741       0.40740741       0.50000000 1.0 
     -0.42592593       0.42592593       0.50000000 1.0 
     -0.44444444       0.44444444       0.50000000 1.0 
     -0.46296296       0.46296296       0.50000000 1.0 
     -0.48148148       0.48148148       0.50000000 1.0 
     -0.50000000       0.50000000       0.50000000 1.0 
     -0.50000000       0.50000000       0.50000000 1.0 
     -0.48648649       0.48648649       0.48648649 1.0 
     -0.47297297       0.47297297       0.47297297 1.0 
     -0.45945946       0.45945946       0.45945946 1.0 
     -0.44594595       0.44594595       0.44594595 1.0 
     -0.43243243       0.43243243       0.43243243 1.0 
     -0.41891892       0.41891892       0.41891892 1.0 
     -0.40540541       0.40540541       0.40540541 1.0 
     -0.39189189       0.39189189       0.39189189 1.0 
     -0.37837838       0.37837838       0.37837838 1.0 
     -0.36486486       0.36486486       0.36486486 1.0 
     -0.35135135       0.35135135       0.35135135 1.0 
     -0.33783784       0.33783784       0.33783784 1.0 
     -0.32432432       0.32432432       0.32432432 1.0 
     -0.31081081       0.31081081       0.31081081 1.0 
     -0.29729730       0.29729730       0.29729730 1.0 
     -0.28378378       0.28378378       0.28378378 1.0 
     -0.27027027       0.27027027       0.27027027 1.0 
     -0.25675676       0.25675676       0.25675676 1.0 
     -0.24324324       0.24324324       0.24324324 1.0 
     -0.22972973       0.22972973       0.22972973 1.0 
     -0.21621622       0.21621622       0.21621622 1.0 
     -0.20270270       0.20270270       0.20270270 1.0 
     -0.18918919       0.18918919       0.18918919 1.0 
     -0.17567568       0.17567568       0.17567568 1.0 
     -0.16216216       0.16216216       0.16216216 1.0 
     -0.14864865       0.14864865       0.14864865 1.0 
     -0.13513514       0.13513514       0.13513514 1.0 
     -0.12162162       0.12162162       0.12162162 1.0 
     -0.10810811       0.10810811       0.10810811 1.0 
     -0.09459459       0.09459459       0.09459459 1.0 
     -0.08108108       0.08108108       0.08108108 1.0 
     -0.06756757       0.06756757       0.06756757 1.0 
     -0.05405405       0.05405405       0.05405405 1.0 
     -0.04054054       0.04054054       0.04054054 1.0 
     -0.02702703       0.02702703       0.02702703 1.0 
     -0.01351351       0.01351351       0.01351351 1.0 
      0.00000000       0.00000000       0.00000000 1.0 
      0.00000000       0.00000000       0.00000000 1.0 
      0.01128115       0.01128115      -0.01128115 1.0 
      0.02256231       0.02256231      -0.02256231 1.0 
      0.03384346       0.03384346      -0.03384346 1.0 
      0.04512462       0.04512462      -0.04512462 1.0 
      0.05640577       0.05640577      -0.05640577 1.0 
      0.06768693       0.06768693      -0.06768693 1.0 
      0.07896808       0.07896808      -0.07896808 1.0 
      0.09024924       0.09024924      -0.09024924 1.0 
      0.10153039       0.10153039      -0.10153039 1.0 
      0.11281154       0.11281154      -0.11281154 1.0 
      0.12409270       0.12409270      -0.12409270 1.0 
      0.13537385       0.13537385      -0.13537385 1.0 
      0.14665501       0.14665501      -0.14665501 1.0 
      0.15793616       0.15793616      -0.15793616 1.0 
      0.16921732       0.16921732      -0.16921732 1.0 
      0.18049847       0.18049847      -0.18049847 1.0 
      0.19177963       0.19177963      -0.19177963 1.0 
      0.20306078       0.20306078      -0.20306078 1.0 
      0.21434193       0.21434193      -0.21434193 1.0 
      0.22562309       0.22562309      -0.22562309 1.0 
      0.23690424       0.23690424      -0.23690424 1.0 
      0.24818540       0.24818540      -0.24818540 1.0 
      0.25946655       0.25946655      -0.25946655 1.0 
      0.27074771       0.27074771      -0.27074771 1.0 
      0.28202886       0.28202886      -0.28202886 1.0 
      0.29331002       0.29331002      -0.29331002 1.0 
      0.30459117       0.30459117      -0.30459117 1.0 
      0.31587232       0.31587232      -0.31587232 1.0 
      0.32715348       0.32715348      -0.32715348 1.0 
      0.33843463       0.33843463      -0.33843463 1.0 
      0.34971579       0.34971579      -0.34971579 1.0 
      0.36099694       0.36099694      -0.36099694 1.0 
      0.37227810       0.37227810      -0.37227810 1.0 
      0.38355925       0.38355925      -0.38355925 1.0 
      0.39484041       0.39484041      -0.39484041 1.0 
      0.40612156       0.40612156      -0.40612156 1.0 
      0.41740272       0.41740272      -0.41740272 1.0 
      0.42868387       0.42868387      -0.42868387 1.0 
      0.42868387       0.42868387      -0.42868387 1.0 
      0.42291987       0.42291987      -0.40679084 1.0 
      0.41715588       0.41715588      -0.38489781 1.0 
      0.41139188       0.41139188      -0.36300479 1.0 
      0.40562789       0.40562789      -0.34111176 1.0 
      0.39986389       0.39986389      -0.31921873 1.0 
      0.39409989       0.39409989      -0.29732570 1.0 
      0.38833590       0.38833590      -0.27543267 1.0 
      0.38257190       0.38257190      -0.25353965 1.0 
      0.37680791       0.37680791      -0.23164662 1.0 
      0.37104391       0.37104391      -0.20975359 1.0 
      0.36527992       0.36527992      -0.18786056 1.0 
      0.35951592       0.35951592      -0.16596753 1.0 
      0.35375192       0.35375192      -0.14407450 1.0 
      0.34798793       0.34798793      -0.12218148 1.0 
      0.34222393       0.34222393      -0.10028845 1.0 
      0.33645994       0.33645994      -0.07839542 1.0 
      0.33069594       0.33069594      -0.05650239 1.0 
      0.32493195       0.32493195      -0.03460936 1.0 
      0.31916795       0.31916795      -0.01271634 1.0 
      0.31340395       0.31340395       0.00917669 1.0 
      0.30763996       0.30763996       0.03106972 1.0 
      0.30187596       0.30187596       0.05296275 1.0 
      0.29611197       0.29611197       0.07485578 1.0 
      0.29034797       0.29034797       0.09674880 1.0 
      0.28458397       0.28458397       0.11864183 1.0 
      0.27881998       0.27881998       0.14053486 1.0 
      0.27305598       0.27305598       0.16242789 1.0 
      0.26729199       0.26729199       0.18432092 1.0 
      0.26152799       0.26152799       0.20621394 1.0 
      0.25576400       0.25576400       0.22810697 1.0 
      0.25000000       0.25000000       0.25000000 1.0 
      0.25000000       0.25000000       0.25000000 1.0 
      0.23684211       0.26315789       0.23684211 1.0 
      0.22368421       0.27631579       0.22368421 1.0 
      0.21052632       0.28947368       0.21052632 1.0 
      0.19736842       0.30263158       0.19736842 1.0 
      0.18421053       0.31578947       0.18421053 1.0 
      0.17105263       0.32894737       0.17105263 1.0 
      0.15789474       0.34210526       0.15789474 1.0 
      0.14473684       0.35526316       0.14473684 1.0 
      0.13157895       0.36842105       0.13157895 1.0 
      0.11842105       0.38157895       0.11842105 1.0 
      0.10526316       0.39473684       0.10526316 1.0 
      0.09210526       0.40789474       0.09210526 1.0 
      0.07894737       0.42105263       0.07894737 1.0 
      0.06578947       0.43421053       0.06578947 1.0 
      0.05263158       0.44736842       0.05263158 1.0 
      0.03947368       0.46052632       0.03947368 1.0 
      0.02631579       0.47368421       0.02631579 1.0 
      0.01315789       0.48684211       0.01315789 1.0 
      0.00000000       0.50000000       0.00000000 1.0 
      0.00000000       0.50000000       0.00000000 1.0 
     -0.01714735       0.50285265       0.01714735 1.0 
     -0.03429471       0.50570529       0.03429471 1.0 
     -0.05144206       0.50855794       0.05144206 1.0 
     -0.06858942       0.51141058       0.06858942 1.0 
     -0.08573677       0.51426323       0.08573677 1.0 
     -0.10288413       0.51711587       0.10288413 1.0 
     -0.12003148       0.51996852       0.12003148 1.0 
     -0.13717884       0.52282116       0.13717884 1.0 
     -0.15432619       0.52567381       0.15432619 1.0 
     -0.17147355       0.52852645       0.17147355 1.0 
     -0.18862090       0.53137910       0.18862090 1.0 
     -0.20576826       0.53423174       0.20576826 1.0 
     -0.22291561       0.53708439       0.22291561 1.0 
     -0.24006297       0.53993703       0.24006297 1.0 
     -0.25721032       0.54278968       0.25721032 1.0 
     -0.27435768       0.54564232       0.27435768 1.0 
     -0.29150503       0.54849497       0.29150503 1.0 
     -0.30865239       0.55134761       0.30865239 1.0 
     -0.32579974       0.55420026       0.32579974 1.0 
     -0.34294710       0.55705290       0.34294710 1.0 
     -0.36009445       0.55990555       0.36009445 1.0 
     -0.37724181       0.56275819       0.37724181 1.0 
     -0.39438916       0.56561084       0.39438916 1.0 
     -0.41153651       0.56846349       0.41153651 1.0 
     -0.42868387       0.57131613       0.42868387 1.0 
     -0.42868387       0.57131613       0.42868387 1.0 
     -0.43887189       0.56112811       0.43887189 1.0 
     -0.44905991       0.55094009       0.44905991 1.0 
     -0.45924793       0.54075207       0.45924793 1.0 
     -0.46943594       0.53056406       0.46943594 1.0 
     -0.47962396       0.52037604       0.47962396 1.0 
     -0.48981198       0.51018802       0.48981198 1.0 
     -0.50000000       0.50000000       0.50000000 1.0 
      0.00000000       0.00000000       0.50000000 1.0 
      0.01136364       0.01136364       0.48863636 1.0 
      0.02272727       0.02272727       0.47727273 1.0 
      0.03409091       0.03409091       0.46590909 1.0 
      0.04545455       0.04545455       0.45454545 1.0 
      0.05681818       0.05681818       0.44318182 1.0 
      0.06818182       0.06818182       0.43181818 1.0 
      0.07954545       0.07954545       0.42045455 1.0 
      0.09090909       0.09090909       0.40909091 1.0 
      0.10227273       0.10227273       0.39772727 1.0 
      0.11363636       0.11363636       0.38636364 1.0 
      0.12500000       0.12500000       0.37500000 1.0 
      0.13636364       0.13636364       0.36363636 1.0 
      0.14772727       0.14772727       0.35227273 1.0 
      0.15909091       0.15909091       0.34090909 1.0 
      0.17045455       0.17045455       0.32954545 1.0 
      0.18181818       0.18181818       0.31818182 1.0 
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      0.21590909       0.21590909       0.28409091 1.0 
      0.22727273       0.22727273       0.27272727 1.0 
      0.23863636       0.23863636       0.26136364 1.0 
      0.25000000       0.25000000       0.25000000 1.0 

