! Pwscf input file created with ciftopw.py 
! Compound: TlGaTe2
&control
         calculation     = 'bands'
         prefix          = 'TlGaTe2'
         restart_mode    = 'from_scratch'
         outdir          = './'
         wf_collect      = .true.
         verbosity       = 'high'
       /
&system
         ibrav           =  14
         celldm(1)       =           12.9974244561648806
         celldm(2)       =            1.0000000000000000
         celldm(3)       =            1.0000000000000002
         celldm(4)       =           -0.2490601009309022
         celldm(5)       =           -0.2490601009309022
         celldm(6)       =           -0.5018797981381958
         nat             =        8
         ntyp            =        3
         ecutwfc         =       45.00000000
         ecutrho         =      240.00000000
         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 
Ga  69.7230 Ga.rel-pbe-dnl-rrkjus_psl.1.0.0.UPF 
ATOMIC_POSITIONS crystal
K_POINTS crystal
246
      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 
     -0.48684211       0.48684211       0.48684211 1.0 
     -0.47368421       0.47368421       0.47368421 1.0 
     -0.46052632       0.46052632       0.46052632 1.0 
     -0.44736842       0.44736842       0.44736842 1.0 
     -0.43421053       0.43421053       0.43421053 1.0 
     -0.42105263       0.42105263       0.42105263 1.0 
     -0.40789474       0.40789474       0.40789474 1.0 
     -0.39473684       0.39473684       0.39473684 1.0 
     -0.38157895       0.38157895       0.38157895 1.0 
     -0.36842105       0.36842105       0.36842105 1.0 
     -0.35526316       0.35526316       0.35526316 1.0 
     -0.34210526       0.34210526       0.34210526 1.0 
     -0.32894737       0.32894737       0.32894737 1.0 
     -0.31578947       0.31578947       0.31578947 1.0 
     -0.30263158       0.30263158       0.30263158 1.0 
     -0.28947368       0.28947368       0.28947368 1.0 
     -0.27631579       0.27631579       0.27631579 1.0 
     -0.26315789       0.26315789       0.26315789 1.0 
     -0.25000000       0.25000000       0.25000000 1.0 
     -0.23684211       0.23684211       0.23684211 1.0 
     -0.22368421       0.22368421       0.22368421 1.0 
     -0.21052632       0.21052632       0.21052632 1.0 
     -0.19736842       0.19736842       0.19736842 1.0 
     -0.18421053       0.18421053       0.18421053 1.0 
     -0.17105263       0.17105263       0.17105263 1.0 
     -0.15789474       0.15789474       0.15789474 1.0 
     -0.14473684       0.14473684       0.14473684 1.0 
     -0.13157895       0.13157895       0.13157895 1.0 
     -0.11842105       0.11842105       0.11842105 1.0 
     -0.10526316       0.10526316       0.10526316 1.0 
     -0.09210526       0.09210526       0.09210526 1.0 
     -0.07894737       0.07894737       0.07894737 1.0 
     -0.06578947       0.06578947       0.06578947 1.0 
     -0.05263158       0.05263158       0.05263158 1.0 
     -0.03947368       0.03947368       0.03947368 1.0 
     -0.02631579       0.02631579       0.02631579 1.0 
     -0.01315789       0.01315789       0.01315789 1.0 
      0.00000000       0.00000000       0.00000000 1.0 
      0.00000000       0.00000000       0.00000000 1.0 
      0.01066237       0.01066237      -0.01066237 1.0 
      0.02132473       0.02132473      -0.02132473 1.0 
      0.03198710       0.03198710      -0.03198710 1.0 
      0.04264946       0.04264946      -0.04264946 1.0 
      0.05331183       0.05331183      -0.05331183 1.0 
      0.06397419       0.06397419      -0.06397419 1.0 
      0.07463656       0.07463656      -0.07463656 1.0 
      0.08529892       0.08529892      -0.08529892 1.0 
      0.09596129       0.09596129      -0.09596129 1.0 
      0.10662365       0.10662365      -0.10662365 1.0 
      0.11728602       0.11728602      -0.11728602 1.0 
      0.12794838       0.12794838      -0.12794838 1.0 
      0.13861075       0.13861075      -0.13861075 1.0 
      0.14927311       0.14927311      -0.14927311 1.0 
      0.15993548       0.15993548      -0.15993548 1.0 
      0.17059784       0.17059784      -0.17059784 1.0 
      0.18126021       0.18126021      -0.18126021 1.0 
      0.19192258       0.19192258      -0.19192258 1.0 
      0.20258494       0.20258494      -0.20258494 1.0 
      0.21324731       0.21324731      -0.21324731 1.0 
      0.22390967       0.22390967      -0.22390967 1.0 
      0.23457204       0.23457204      -0.23457204 1.0 
      0.24523440       0.24523440      -0.24523440 1.0 
      0.25589677       0.25589677      -0.25589677 1.0 
      0.26655913       0.26655913      -0.26655913 1.0 
      0.27722150       0.27722150      -0.27722150 1.0 
      0.28788386       0.28788386      -0.28788386 1.0 
      0.29854623       0.29854623      -0.29854623 1.0 
      0.30920859       0.30920859      -0.30920859 1.0 
      0.31987096       0.31987096      -0.31987096 1.0 
      0.33053332       0.33053332      -0.33053332 1.0 
      0.34119569       0.34119569      -0.34119569 1.0 
      0.35185805       0.35185805      -0.35185805 1.0 
      0.36252042       0.36252042      -0.36252042 1.0 
      0.37318279       0.37318279      -0.37318279 1.0 
      0.38384515       0.38384515      -0.38384515 1.0 
      0.39450752       0.39450752      -0.39450752 1.0 
      0.40516988       0.40516988      -0.40516988 1.0 
      0.41583225       0.41583225      -0.41583225 1.0 
      0.41583225       0.41583225      -0.41583225 1.0 
      0.41048282       0.41048282      -0.39435379 1.0 
      0.40513339       0.40513339      -0.37287533 1.0 
      0.39978396       0.39978396      -0.35139687 1.0 
      0.39443454       0.39443454      -0.32991841 1.0 
      0.38908511       0.38908511      -0.30843995 1.0 
      0.38373568       0.38373568      -0.28696149 1.0 
      0.37838626       0.37838626      -0.26548303 1.0 
      0.37303683       0.37303683      -0.24400457 1.0 
      0.36768740       0.36768740      -0.22252611 1.0 
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      0.34628969       0.34628969      -0.13661227 1.0 
      0.34094026       0.34094026      -0.11513381 1.0 
      0.33559084       0.33559084      -0.09365535 1.0 
      0.33024141       0.33024141      -0.07217689 1.0 
      0.32489198       0.32489198      -0.05069843 1.0 
      0.31954255       0.31954255      -0.02921997 1.0 
      0.31419313       0.31419313      -0.00774151 1.0 
      0.30884370       0.30884370       0.01373694 1.0 
      0.30349427       0.30349427       0.03521540 1.0 
      0.29814485       0.29814485       0.05669386 1.0 
      0.29279542       0.29279542       0.07817232 1.0 
      0.28744599       0.28744599       0.09965078 1.0 
      0.28209656       0.28209656       0.12112924 1.0 
      0.27674714       0.27674714       0.14260770 1.0 
      0.27139771       0.27139771       0.16408616 1.0 
      0.26604828       0.26604828       0.18556462 1.0 
      0.26069885       0.26069885       0.20704308 1.0 
      0.25534943       0.25534943       0.22852154 1.0 
      0.25000000       0.25000000       0.25000000 1.0 
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      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 
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      0.13157895       0.36842105       0.13157895 1.0 
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      0.07894737       0.42105263       0.07894737 1.0 
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      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 
     -0.01663329       0.50336671       0.01663329 1.0 
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     -0.06653316       0.51346684       0.06653316 1.0 
     -0.08316645       0.51683355       0.08316645 1.0 
     -0.09979974       0.52020026       0.09979974 1.0 
     -0.11643303       0.52356697       0.11643303 1.0 
     -0.13306632       0.52693368       0.13306632 1.0 
     -0.14969961       0.53030039       0.14969961 1.0 
     -0.16633290       0.53366710       0.16633290 1.0 
     -0.18296619       0.53703381       0.18296619 1.0 
     -0.19959948       0.54040052       0.19959948 1.0 
     -0.21623277       0.54376723       0.21623277 1.0 
     -0.23286606       0.54713394       0.23286606 1.0 
     -0.24949935       0.55050065       0.24949935 1.0 
     -0.26613264       0.55386736       0.26613264 1.0 
     -0.28276593       0.55723407       0.28276593 1.0 
     -0.29939922       0.56060078       0.29939922 1.0 
     -0.31603251       0.56396749       0.31603251 1.0 
     -0.33266580       0.56733420       0.33266580 1.0 
     -0.34929909       0.57070091       0.34929909 1.0 
     -0.36593238       0.57406762       0.36593238 1.0 
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     -0.42635322       0.57364678       0.42635322 1.0 
     -0.43687418       0.56312582       0.43687418 1.0 
     -0.44739515       0.55260485       0.44739515 1.0 
     -0.45791612       0.54208388       0.45791612 1.0 
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     -0.47895806       0.52104194       0.47895806 1.0 
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     -0.50000000       0.50000000       0.50000000 1.0 
     -0.00000000      -0.00000000       0.50000000 1.0 
      0.01086957       0.01086957       0.48913043 1.0 
      0.02173913       0.02173913       0.47826087 1.0 
      0.03260870       0.03260870       0.46739130 1.0 
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      0.07608696       0.07608696       0.42391304 1.0 
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      0.23913043       0.23913043       0.26086957 1.0 
      0.25000000       0.25000000       0.25000000 1.0 

