! Pwscf input file created with pymatgen.py 
! Compound: Tl3AsSe3
&control
         calculation     = 'bands'
         prefix          = 'Tl3AsSe3'
         restart_mode    = 'from_scratch'
         outdir          = './'
         wf_collect      = .true.
         verbosity       = 'high'
       /
&system
         ibrav           =  14
         celldm(1)       =           11.6588510549254618
         celldm(2)       =            1.0000000000000000
         celldm(3)       =            1.0000000000000002
         celldm(4)       =           -0.2796478555316337
         celldm(5)       =           -0.2796478555316337
         celldm(6)       =           -0.2796478555316337
         nat             =        7
         ntyp            =        3
         ecutwfc         =       45.00000000
         ecutrho         =      211.00000000
         occupations     =  'smearing'  
         smearing        =  'f-d' 
         degauss         =        1.00000000e-03  
         noncolin        =  .true. 
         lspinorb        =  .true. 
/
&electrons
         conv_thr        =        1.00000000e-08 
         mixing_beta     =        3.00000000e-01    
   /
ATOMIC_SPECIES
Tl 204.3833 Tl.rel-pbe-dn-rrkjus_psl.1.0.0.UPF 
Se  78.9600 Se_MT_PBE.UPF 
As  74.9216 As.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
ATOMIC_POSITIONS crystal
K_POINTS crystal
263
      0.00000000       0.00000000       0.00000000 1.0 
      0.01028243      -0.01603336       0.01028243 1.0 
      0.02056487      -0.03206671       0.02056487 1.0 
      0.03084730      -0.04810007       0.03084730 1.0 
      0.04112974      -0.06413342       0.04112974 1.0 
      0.05141217      -0.08016678       0.05141217 1.0 
      0.06169460      -0.09620013       0.06169460 1.0 
      0.07197704      -0.11223349       0.07197704 1.0 
      0.08225947      -0.12826684       0.08225947 1.0 
      0.09254191      -0.14430020       0.09254191 1.0 
      0.10282434      -0.16033355       0.10282434 1.0 
      0.11310678      -0.17636691       0.11310678 1.0 
      0.12338921      -0.19240026       0.12338921 1.0 
      0.13367164      -0.20843362       0.13367164 1.0 
      0.14395408      -0.22446698       0.14395408 1.0 
      0.15423651      -0.24050033       0.15423651 1.0 
      0.16451895      -0.25653369       0.16451895 1.0 
      0.17480138      -0.27256704       0.17480138 1.0 
      0.18508381      -0.28860040       0.18508381 1.0 
      0.19536625      -0.30463375       0.19536625 1.0 
      0.20564868      -0.32066711       0.20564868 1.0 
      0.21593112      -0.33670046       0.21593112 1.0 
      0.22621355      -0.35273382       0.22621355 1.0 
      0.23649598      -0.36876717       0.23649598 1.0 
      0.24677842      -0.38480053       0.24677842 1.0 
      0.25706085      -0.40083388       0.25706085 1.0 
      0.26734329      -0.41686724       0.26734329 1.0 
      0.27762572      -0.43290060       0.27762572 1.0 
      0.28790815      -0.44893395       0.28790815 1.0 
      0.29819059      -0.46496731       0.29819059 1.0 
      0.30847302      -0.48100066       0.30847302 1.0 
      0.31875546      -0.49703402       0.31875546 1.0 
      0.32903789      -0.51306737       0.32903789 1.0 
      0.33932033      -0.52910073       0.33932033 1.0 
      0.34960276      -0.54513408       0.34960276 1.0 
      0.35988519      -0.56116744       0.35988519 1.0 
      0.37016763      -0.57720079       0.37016763 1.0 
      0.38045006      -0.59323415       0.38045006 1.0 
      0.39073250      -0.60926750       0.39073250 1.0 
      0.39073250      -0.60926750       0.39073250 1.0 
      0.39801700      -0.60198300       0.39801700 1.0 
      0.40530150      -0.59469850       0.40530150 1.0 
      0.41258600      -0.58741400       0.41258600 1.0 
      0.41987050      -0.58012950       0.41987050 1.0 
      0.42715500      -0.57284500       0.42715500 1.0 
      0.43443950      -0.56556050       0.43443950 1.0 
      0.44172400      -0.55827600       0.44172400 1.0 
      0.44900850      -0.55099150       0.44900850 1.0 
      0.45629300      -0.54370700       0.45629300 1.0 
      0.46357750      -0.53642250       0.46357750 1.0 
      0.47086200      -0.52913800       0.47086200 1.0 
      0.47814650      -0.52185350       0.47814650 1.0 
      0.48543100      -0.51456900       0.48543100 1.0 
      0.49271550      -0.50728450       0.49271550 1.0 
      0.50000000      -0.50000000       0.50000000 1.0 
      0.50000000      -0.50000000       0.50000000 1.0 
      0.49453662      -0.48046338       0.49453662 1.0 
      0.48907325      -0.46092675       0.48907325 1.0 
      0.48360987      -0.44139013       0.48360987 1.0 
      0.47814650      -0.42185350       0.47814650 1.0 
      0.47268312      -0.40231688       0.47268312 1.0 
      0.46721975      -0.38278025       0.46721975 1.0 
      0.46175637      -0.36324363       0.46175637 1.0 
      0.45629300      -0.34370700       0.45629300 1.0 
      0.45082962      -0.32417038       0.45082962 1.0 
      0.44536625      -0.30463375       0.44536625 1.0 
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      0.43443950      -0.26556050       0.43443950 1.0 
      0.42897612      -0.24602388       0.42897612 1.0 
      0.42351275      -0.22648725       0.42351275 1.0 
      0.41804937      -0.20695063       0.41804937 1.0 
      0.41258600      -0.18741400       0.41258600 1.0 
      0.40712262      -0.16787738       0.40712262 1.0 
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      0.39619587      -0.12880413       0.39619587 1.0 
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      0.38526912      -0.08973088       0.38526912 1.0 
      0.37980575      -0.07019425       0.37980575 1.0 
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      0.36887899      -0.03112101       0.36887899 1.0 
      0.36341562      -0.01158438       0.36341562 1.0 
      0.35795224       0.00795224       0.35795224 1.0 
      0.35248887       0.02748887       0.35248887 1.0 
      0.34702549       0.04702549       0.34702549 1.0 
      0.34156212       0.06656212       0.34156212 1.0 
      0.33609874       0.08609874       0.33609874 1.0 
      0.33063537       0.10563537       0.33063537 1.0 
      0.32517199       0.12517199       0.32517199 1.0 
      0.31970862       0.14470862       0.31970862 1.0 
      0.31424524       0.16424524       0.31424524 1.0 
      0.30878187       0.18378187       0.30878187 1.0 
      0.30331849       0.20331849       0.30331849 1.0 
      0.29785512       0.22285512       0.29785512 1.0 
      0.29239174       0.24239174       0.29239174 1.0 
      0.28692837       0.26192837       0.28692837 1.0 
      0.28146499       0.28146499       0.28146499 1.0 
      0.28146499       0.28146499       0.28146499 1.0 
      0.27405802       0.27405802       0.27405802 1.0 
      0.26665104       0.26665104       0.26665104 1.0 
      0.25924407       0.25924407       0.25924407 1.0 
      0.25183710       0.25183710       0.25183710 1.0 
      0.24443012       0.24443012       0.24443012 1.0 
      0.23702315       0.23702315       0.23702315 1.0 
      0.22961618       0.22961618       0.22961618 1.0 
      0.22220920       0.22220920       0.22220920 1.0 
      0.21480223       0.21480223       0.21480223 1.0 
      0.20739526       0.20739526       0.20739526 1.0 
      0.19998828       0.19998828       0.19998828 1.0 
      0.19258131       0.19258131       0.19258131 1.0 
      0.18517434       0.18517434       0.18517434 1.0 
      0.17776736       0.17776736       0.17776736 1.0 
      0.17036039       0.17036039       0.17036039 1.0 
      0.16295342       0.16295342       0.16295342 1.0 
      0.15554644       0.15554644       0.15554644 1.0 
      0.14813947       0.14813947       0.14813947 1.0 
      0.14073250       0.14073250       0.14073250 1.0 
      0.13332552       0.13332552       0.13332552 1.0 
      0.12591855       0.12591855       0.12591855 1.0 
      0.11851158       0.11851158       0.11851158 1.0 
      0.11110460       0.11110460       0.11110460 1.0 
      0.10369763       0.10369763       0.10369763 1.0 
      0.09629065       0.09629065       0.09629065 1.0 
      0.08888368       0.08888368       0.08888368 1.0 
      0.08147671       0.08147671       0.08147671 1.0 
      0.07406973       0.07406973       0.07406973 1.0 
      0.06666276       0.06666276       0.06666276 1.0 
      0.05925579       0.05925579       0.05925579 1.0 
      0.05184881       0.05184881       0.05184881 1.0 
      0.04444184       0.04444184       0.04444184 1.0 
      0.03703487       0.03703487       0.03703487 1.0 
      0.02962789       0.02962789       0.02962789 1.0 
      0.02222092       0.02222092       0.02222092 1.0 
      0.01481395       0.01481395       0.01481395 1.0 
      0.00740697       0.00740697       0.00740697 1.0 
      0.00000000       0.00000000       0.00000000 1.0 
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      0.01562500      -0.01562500       0.00000000 1.0 
      0.03125000      -0.03125000       0.00000000 1.0 
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      0.06250000      -0.06250000       0.00000000 1.0 
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      0.17187500      -0.17187500       0.00000000 1.0 
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      0.29687500      -0.29687500       0.00000000 1.0 
      0.31250000      -0.31250000       0.00000000 1.0 
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      0.35937500      -0.35937500       0.00000000 1.0 
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      0.39062500      -0.39062500       0.00000000 1.0 
      0.40625000      -0.40625000       0.00000000 1.0 
      0.42187500      -0.42187500       0.00000000 1.0 
      0.43750000      -0.43750000       0.00000000 1.0 
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      0.50000000      -0.50000000       0.00000000 1.0 
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      0.50546338      -0.49453662      -0.01953662 1.0 
      0.51092675      -0.48907325      -0.03907325 1.0 
      0.51639013      -0.48360987      -0.05860987 1.0 
      0.52185350      -0.47814650      -0.07814650 1.0 
      0.52731688      -0.47268312      -0.09768312 1.0 
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      0.58195063      -0.41804937      -0.29304937 1.0 
      0.58741400      -0.41258600      -0.31258600 1.0 
      0.59287738      -0.40712262      -0.33212262 1.0 
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      0.66754351      -0.33245649      -0.33245649 1.0 
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      0.50000000      -0.50000000       0.50000000 1.0 

