! Pwscf input file created with ciftopw.py 
! Compound: Te6IrI3
&control
         calculation     = 'bands'
         prefix          = 'Te6IrI3'
         restart_mode    = 'from_scratch'
         outdir          = './'
         wf_collect      = .true.
         verbosity       = 'high'
       /
&system
         ibrav           =  14
         celldm(1)       =           17.8084493466711749
         celldm(2)       =            1.0000000000000000
         celldm(3)       =            1.0000000000000000
         celldm(4)       =           -0.3138510626668291
         celldm(5)       =           -0.3138510626668291
         celldm(6)       =           -0.3138510626668291
         nat             =       20
         ntyp            =        3
         ecutwfc         =       57.00000000
         ecutrho         =      320.00000000
         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
Te 127.6000 Te.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
 I 126.9045 I.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
Ir 192.2170 Ir.rel-pbe-spn-rrkjus_psl.1.0.0.UPF 
ATOMIC_POSITIONS crystal
K_POINTS crystal
179
      0.00000000       0.00000000       0.00000000 1.0 
      0.01522243      -0.02477757       0.01522243 1.0 
      0.03044485      -0.04955515       0.03044485 1.0 
      0.04566728      -0.07433272       0.04566728 1.0 
      0.06088970      -0.09911030       0.06088970 1.0 
      0.07611213      -0.12388787       0.07611213 1.0 
      0.09133455      -0.14866545       0.09133455 1.0 
      0.10655698      -0.17344302       0.10655698 1.0 
      0.12177940      -0.19822060       0.12177940 1.0 
      0.13700183      -0.22299817       0.13700183 1.0 
      0.15222426      -0.24777574       0.15222426 1.0 
      0.16744668      -0.27255332       0.16744668 1.0 
      0.18266911      -0.29733089       0.18266911 1.0 
      0.19789153      -0.32210847       0.19789153 1.0 
      0.21311396      -0.34688604       0.21311396 1.0 
      0.22833638      -0.37166362       0.22833638 1.0 
      0.24355881      -0.39644119       0.24355881 1.0 
      0.25878123      -0.42121877       0.25878123 1.0 
      0.27400366      -0.44599634       0.27400366 1.0 
      0.28922609      -0.47077391       0.28922609 1.0 
      0.30444851      -0.49555149       0.30444851 1.0 
      0.31967094      -0.52032906       0.31967094 1.0 
      0.33489336      -0.54510664       0.33489336 1.0 
      0.35011579      -0.56988421       0.35011579 1.0 
      0.36533821      -0.59466179       0.36533821 1.0 
      0.38056064      -0.61943936       0.38056064 1.0 
      0.38056064      -0.61943936       0.38056064 1.0 
      0.39051392      -0.60948608       0.39051392 1.0 
      0.40046720      -0.59953280       0.40046720 1.0 
      0.41042048      -0.58957952       0.41042048 1.0 
      0.42037376      -0.57962624       0.42037376 1.0 
      0.43032704      -0.56967296       0.43032704 1.0 
      0.44028032      -0.55971968       0.44028032 1.0 
      0.45023360      -0.54976640       0.45023360 1.0 
      0.46018688      -0.53981312       0.46018688 1.0 
      0.47014016      -0.52985984       0.47014016 1.0 
      0.48009344      -0.51990656       0.48009344 1.0 
      0.49004672      -0.50995328       0.49004672 1.0 
      0.50000000      -0.50000000       0.50000000 1.0 
      0.50000000      -0.50000000       0.50000000 1.0 
      0.49081236      -0.47072610       0.49081236 1.0 
      0.48162471      -0.44145221       0.48162471 1.0 
      0.47243707      -0.41217831       0.47243707 1.0 
      0.46324943      -0.38290442       0.46324943 1.0 
      0.45406178      -0.35363052       0.45406178 1.0 
      0.44487414      -0.32435663       0.44487414 1.0 
      0.43568650      -0.29508273       0.43568650 1.0 
      0.42649885      -0.26580884       0.42649885 1.0 
      0.41731121      -0.23653494       0.41731121 1.0 
      0.40812357      -0.20726105       0.40812357 1.0 
      0.39893593      -0.17798715       0.39893593 1.0 
      0.38974828      -0.14871326       0.38974828 1.0 
      0.38056064      -0.11943936       0.38056064 1.0 
      0.37137300      -0.09016547       0.37137300 1.0 
      0.36218535      -0.06089157       0.36218535 1.0 
      0.35299771      -0.03161768       0.35299771 1.0 
      0.34381007      -0.00234378       0.34381007 1.0 
      0.33462242       0.02693012       0.33462242 1.0 
      0.32543478       0.05620401       0.32543478 1.0 
      0.31624714       0.08547791       0.31624714 1.0 
      0.30705949       0.11475180       0.30705949 1.0 
      0.29787185       0.14402570       0.29787185 1.0 
      0.28868421       0.17329959       0.28868421 1.0 
      0.27949656       0.20257349       0.27949656 1.0 
      0.27030892       0.23184738       0.27030892 1.0 
      0.26112128       0.26112128       0.26112128 1.0 
      0.26112128       0.26112128       0.26112128 1.0 
      0.25067643       0.25067643       0.25067643 1.0 
      0.24023158       0.24023158       0.24023158 1.0 
      0.22978672       0.22978672       0.22978672 1.0 
      0.21934187       0.21934187       0.21934187 1.0 
      0.20889702       0.20889702       0.20889702 1.0 
      0.19845217       0.19845217       0.19845217 1.0 
      0.18800732       0.18800732       0.18800732 1.0 
      0.17756247       0.17756247       0.17756247 1.0 
      0.16711762       0.16711762       0.16711762 1.0 
      0.15667277       0.15667277       0.15667277 1.0 
      0.14622792       0.14622792       0.14622792 1.0 
      0.13578306       0.13578306       0.13578306 1.0 
      0.12533821       0.12533821       0.12533821 1.0 
      0.11489336       0.11489336       0.11489336 1.0 
      0.10444851       0.10444851       0.10444851 1.0 
      0.09400366       0.09400366       0.09400366 1.0 
      0.08355881       0.08355881       0.08355881 1.0 
      0.07311396       0.07311396       0.07311396 1.0 
      0.06266911       0.06266911       0.06266911 1.0 
      0.05222426       0.05222426       0.05222426 1.0 
      0.04177940       0.04177940       0.04177940 1.0 
      0.03133455       0.03133455       0.03133455 1.0 
      0.02088970       0.02088970       0.02088970 1.0 
      0.01044485       0.01044485       0.01044485 1.0 
      0.00000000       0.00000000       0.00000000 1.0 
      0.00000000       0.00000000       0.00000000 1.0 
      0.02380952      -0.02380952       0.00000000 1.0 
      0.04761905      -0.04761905       0.00000000 1.0 
      0.07142857      -0.07142857       0.00000000 1.0 
      0.09523810      -0.09523810       0.00000000 1.0 
      0.11904762      -0.11904762       0.00000000 1.0 
      0.14285714      -0.14285714       0.00000000 1.0 
      0.16666667      -0.16666667       0.00000000 1.0 
      0.19047619      -0.19047619       0.00000000 1.0 
      0.21428571      -0.21428571       0.00000000 1.0 
      0.23809524      -0.23809524       0.00000000 1.0 
      0.26190476      -0.26190476       0.00000000 1.0 
      0.28571429      -0.28571429       0.00000000 1.0 
      0.30952381      -0.30952381       0.00000000 1.0 
      0.33333333      -0.33333333       0.00000000 1.0 
      0.35714286      -0.35714286       0.00000000 1.0 
      0.38095238      -0.38095238       0.00000000 1.0 
      0.40476190      -0.40476190       0.00000000 1.0 
      0.42857143      -0.42857143       0.00000000 1.0 
      0.45238095      -0.45238095       0.00000000 1.0 
      0.47619048      -0.47619048       0.00000000 1.0 
      0.50000000      -0.50000000       0.00000000 1.0 
      0.50000000      -0.50000000       0.00000000 1.0 
      0.50918764      -0.49081236      -0.02927390 1.0 
      0.51837529      -0.48162471      -0.05854779 1.0 
      0.52756293      -0.47243707      -0.08782169 1.0 
      0.53675057      -0.46324943      -0.11709558 1.0 
      0.54593822      -0.45406178      -0.14636948 1.0 
      0.55512586      -0.44487414      -0.17564337 1.0 
      0.56431350      -0.43568650      -0.20491727 1.0 
      0.57350115      -0.42649885      -0.23419116 1.0 
      0.58268879      -0.41731121      -0.26346506 1.0 
      0.59187643      -0.40812357      -0.29273895 1.0 
      0.60106407      -0.39893593      -0.32201285 1.0 
      0.61025172      -0.38974828      -0.35128674 1.0 
      0.61943936      -0.38056064      -0.38056064 1.0 
      0.61943936      -0.38056064      -0.38056064 1.0 
      0.62939264      -0.37060736      -0.37060736 1.0 
      0.63934592      -0.36065408      -0.36065408 1.0 
      0.64929920      -0.35070080      -0.35070080 1.0 
      0.65925248      -0.34074752      -0.34074752 1.0 
      0.66920576      -0.33079424      -0.33079424 1.0 
      0.67915904      -0.32084096      -0.32084096 1.0 
      0.68911232      -0.31088768      -0.31088768 1.0 
      0.69906560      -0.30093440      -0.30093440 1.0 
      0.70901888      -0.29098112      -0.29098112 1.0 
      0.71897216      -0.28102784      -0.28102784 1.0 
      0.72892544      -0.27107456      -0.27107456 1.0 
      0.73887872      -0.26112128      -0.26112128 1.0 
      0.73887872      -0.26112128      -0.26112128 1.0 
      0.72295347      -0.24371319      -0.24371319 1.0 
      0.70702823      -0.22630511      -0.22630511 1.0 
      0.69110298      -0.20889702      -0.20889702 1.0 
      0.67517773      -0.19148894      -0.19148894 1.0 
      0.65925248      -0.17408085      -0.17408085 1.0 
      0.64332723      -0.15667277      -0.15667277 1.0 
      0.62740199      -0.13926468      -0.13926468 1.0 
      0.61147674      -0.12185660      -0.12185660 1.0 
      0.59555149      -0.10444851      -0.10444851 1.0 
      0.57962624      -0.08704043      -0.08704043 1.0 
      0.56370099      -0.06963234      -0.06963234 1.0 
      0.54777574      -0.05222426      -0.05222426 1.0 
      0.53185050      -0.03481617      -0.03481617 1.0 
      0.51592525      -0.01740809      -0.01740809 1.0 
      0.50000000       0.00000000      -0.00000000 1.0 
      0.50000000       0.00000000      -0.00000000 1.0 
      0.50000000      -0.02380952       0.02380952 1.0 
      0.50000000      -0.04761905       0.04761905 1.0 
      0.50000000      -0.07142857       0.07142857 1.0 
      0.50000000      -0.09523810       0.09523810 1.0 
      0.50000000      -0.11904762       0.11904762 1.0 
      0.50000000      -0.14285714       0.14285714 1.0 
      0.50000000      -0.16666667       0.16666667 1.0 
      0.50000000      -0.19047619       0.19047619 1.0 
      0.50000000      -0.21428571       0.21428571 1.0 
      0.50000000      -0.23809524       0.23809524 1.0 
      0.50000000      -0.26190476       0.26190476 1.0 
      0.50000000      -0.28571429       0.28571429 1.0 
      0.50000000      -0.30952381       0.30952381 1.0 
      0.50000000      -0.33333333       0.33333333 1.0 
      0.50000000      -0.35714286       0.35714286 1.0 
      0.50000000      -0.38095238       0.38095238 1.0 
      0.50000000      -0.40476190       0.40476190 1.0 
      0.50000000      -0.42857143       0.42857143 1.0 
      0.50000000      -0.45238095       0.45238095 1.0 
      0.50000000      -0.47619048       0.47619048 1.0 
      0.50000000      -0.50000000       0.50000000 1.0 

