! Pwscf input file created with ciftopw.py 
! Compound: TlBr
&control
         calculation     = 'bands'
         prefix          = 'TlBr'
         restart_mode    = 'from_scratch'
         outdir          = './'
         wf_collect      = .true.
         verbosity       = 'high'
       /
&system
         ibrav           =  14
         celldm(1)       =           12.5179941238695882
         celldm(2)       =            1.0000000000000002
         celldm(3)       =            0.7487654022434216
         celldm(4)       =            0.0000000000000001
         celldm(5)       =            0.0000000000000001
         celldm(6)       =           -0.7804025817831487
         nat             =        4
         ntyp            =        2
         ecutwfc         =       50.00000000
         ecutrho         =      244.00000000
         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 
Br  79.9040 Br.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
ATOMIC_POSITIONS crystal
K_POINTS crystal
366
      0.00000000       0.00000000       0.00000000 1.0 
      0.00684964       0.00684964       0.00000000 1.0 
      0.01369929       0.01369929       0.00000000 1.0 
      0.02054893       0.02054893       0.00000000 1.0 
      0.02739857       0.02739857       0.00000000 1.0 
      0.03424821       0.03424821       0.00000000 1.0 
      0.04109786       0.04109786       0.00000000 1.0 
      0.04794750       0.04794750       0.00000000 1.0 
      0.05479714       0.05479714       0.00000000 1.0 
      0.06164679       0.06164679       0.00000000 1.0 
      0.06849643       0.06849643       0.00000000 1.0 
      0.07534607       0.07534607       0.00000000 1.0 
      0.08219572       0.08219572       0.00000000 1.0 
      0.08904536       0.08904536       0.00000000 1.0 
      0.09589500       0.09589500       0.00000000 1.0 
      0.10274464       0.10274464       0.00000000 1.0 
      0.10959429       0.10959429       0.00000000 1.0 
      0.11644393       0.11644393       0.00000000 1.0 
      0.12329357       0.12329357       0.00000000 1.0 
      0.13014322       0.13014322       0.00000000 1.0 
      0.13699286       0.13699286       0.00000000 1.0 
      0.14384250       0.14384250       0.00000000 1.0 
      0.15069214       0.15069214       0.00000000 1.0 
      0.15754179       0.15754179       0.00000000 1.0 
      0.16439143       0.16439143       0.00000000 1.0 
      0.17124107       0.17124107       0.00000000 1.0 
      0.17809072       0.17809072       0.00000000 1.0 
      0.18494036       0.18494036       0.00000000 1.0 
      0.19179000       0.19179000       0.00000000 1.0 
      0.19863964       0.19863964       0.00000000 1.0 
      0.20548929       0.20548929       0.00000000 1.0 
      0.21233893       0.21233893       0.00000000 1.0 
      0.21918857       0.21918857       0.00000000 1.0 
      0.22603822       0.22603822       0.00000000 1.0 
      0.23288786       0.23288786       0.00000000 1.0 
      0.23973750       0.23973750       0.00000000 1.0 
      0.24658715       0.24658715       0.00000000 1.0 
      0.25343679       0.25343679       0.00000000 1.0 
      0.26028643       0.26028643       0.00000000 1.0 
      0.26713607       0.26713607       0.00000000 1.0 
      0.27398572       0.27398572       0.00000000 1.0 
      0.28083536       0.28083536       0.00000000 1.0 
      0.28083536       0.28083536       0.00000000 1.0 
      0.26077569       0.29648998       0.00000000 1.0 
      0.24071602       0.31214459       0.00000000 1.0 
      0.22065635       0.32779921       0.00000000 1.0 
      0.20059669       0.34345383       0.00000000 1.0 
      0.18053702       0.35910845       0.00000000 1.0 
      0.16047735       0.37476306       0.00000000 1.0 
      0.14041768       0.39041768       0.00000000 1.0 
      0.12035801       0.40607230       0.00000000 1.0 
      0.10029834       0.42172691       0.00000000 1.0 
      0.08023867       0.43738153       0.00000000 1.0 
      0.06017901       0.45303615       0.00000000 1.0 
      0.04011934       0.46869077       0.00000000 1.0 
      0.02005967       0.48434538       0.00000000 1.0 
      0.00000000       0.50000000       0.00000000 1.0 
      0.00000000       0.50000000       0.00000000 1.0 
     -0.00000000       0.50000000       0.01562500 1.0 
     -0.00000000       0.50000000       0.03125000 1.0 
     -0.00000000       0.50000000       0.04687500 1.0 
     -0.00000000       0.50000000       0.06250000 1.0 
     -0.00000000       0.50000000       0.07812500 1.0 
     -0.00000000       0.50000000       0.09375000 1.0 
     -0.00000000       0.50000000       0.10937500 1.0 
     -0.00000000       0.50000000       0.12500000 1.0 
     -0.00000000       0.50000000       0.14062500 1.0 
     -0.00000000       0.50000000       0.15625000 1.0 
     -0.00000000       0.50000000       0.17187500 1.0 
     -0.00000000       0.50000000       0.18750000 1.0 
     -0.00000000       0.50000000       0.20312500 1.0 
     -0.00000000       0.50000000       0.21875000 1.0 
     -0.00000000       0.50000000       0.23437500 1.0 
      0.00000000       0.50000000       0.25000000 1.0 
      0.00000000       0.50000000       0.26562500 1.0 
      0.00000000       0.50000000       0.28125000 1.0 
      0.00000000       0.50000000       0.29687500 1.0 
      0.00000000       0.50000000       0.31250000 1.0 
      0.00000000       0.50000000       0.32812500 1.0 
      0.00000000       0.50000000       0.34375000 1.0 
      0.00000000       0.50000000       0.35937500 1.0 
      0.00000000       0.50000000       0.37500000 1.0 
      0.00000000       0.50000000       0.39062500 1.0 
      0.00000000       0.50000000       0.40625000 1.0 
      0.00000000       0.50000000       0.42187500 1.0 
      0.00000000       0.50000000       0.43750000 1.0 
      0.00000000       0.50000000       0.45312500 1.0 
      0.00000000       0.50000000       0.46875000 1.0 
      0.00000000       0.50000000       0.48437500 1.0 
      0.00000000       0.50000000       0.50000000 1.0 
      0.00000000       0.50000000       0.50000000 1.0 
      0.02005967       0.48434538       0.50000000 1.0 
      0.04011934       0.46869077       0.50000000 1.0 
      0.06017901       0.45303615       0.50000000 1.0 
      0.08023867       0.43738153       0.50000000 1.0 
      0.10029834       0.42172691       0.50000000 1.0 
      0.12035801       0.40607230       0.50000000 1.0 
      0.14041768       0.39041768       0.50000000 1.0 
      0.16047735       0.37476306       0.50000000 1.0 
      0.18053702       0.35910845       0.50000000 1.0 
      0.20059669       0.34345383       0.50000000 1.0 
      0.22065635       0.32779921       0.50000000 1.0 
      0.24071602       0.31214459       0.50000000 1.0 
      0.26077569       0.29648998       0.50000000 1.0 
      0.28083536       0.28083536       0.50000000 1.0 
      0.28083536       0.28083536       0.50000000 1.0 
      0.27398572       0.27398572       0.50000000 1.0 
      0.26713607       0.26713607       0.50000000 1.0 
      0.26028643       0.26028643       0.50000000 1.0 
      0.25343679       0.25343679       0.50000000 1.0 
      0.24658715       0.24658715       0.50000000 1.0 
      0.23973750       0.23973750       0.50000000 1.0 
      0.23288786       0.23288786       0.50000000 1.0 
      0.22603822       0.22603822       0.50000000 1.0 
      0.21918857       0.21918857       0.50000000 1.0 
      0.21233893       0.21233893       0.50000000 1.0 
      0.20548929       0.20548929       0.50000000 1.0 
      0.19863964       0.19863964       0.50000000 1.0 
      0.19179000       0.19179000       0.50000000 1.0 
      0.18494036       0.18494036       0.50000000 1.0 
      0.17809072       0.17809072       0.50000000 1.0 
      0.17124107       0.17124107       0.50000000 1.0 
      0.16439143       0.16439143       0.50000000 1.0 
      0.15754179       0.15754179       0.50000000 1.0 
      0.15069214       0.15069214       0.50000000 1.0 
      0.14384250       0.14384250       0.50000000 1.0 
      0.13699286       0.13699286       0.50000000 1.0 
      0.13014322       0.13014322       0.50000000 1.0 
      0.12329357       0.12329357       0.50000000 1.0 
      0.11644393       0.11644393       0.50000000 1.0 
      0.10959429       0.10959429       0.50000000 1.0 
      0.10274464       0.10274464       0.50000000 1.0 
      0.09589500       0.09589500       0.50000000 1.0 
      0.08904536       0.08904536       0.50000000 1.0 
      0.08219572       0.08219572       0.50000000 1.0 
      0.07534607       0.07534607       0.50000000 1.0 
      0.06849643       0.06849643       0.50000000 1.0 
      0.06164679       0.06164679       0.50000000 1.0 
      0.05479714       0.05479714       0.50000000 1.0 
      0.04794750       0.04794750       0.50000000 1.0 
      0.04109786       0.04109786       0.50000000 1.0 
      0.03424821       0.03424821       0.50000000 1.0 
      0.02739857       0.02739857       0.50000000 1.0 
      0.02054893       0.02054893       0.50000000 1.0 
      0.01369929       0.01369929       0.50000000 1.0 
      0.00684964       0.00684964       0.50000000 1.0 
      0.00000000       0.00000000       0.50000000 1.0 
     -0.00000000       0.00000000       0.50000000 1.0 
     -0.00000000       0.00000000       0.48437500 1.0 
      0.00000000       0.00000000       0.46875000 1.0 
      0.00000000       0.00000000       0.45312500 1.0 
      0.00000000       0.00000000       0.43750000 1.0 
      0.00000000       0.00000000       0.42187500 1.0 
     -0.00000000       0.00000000       0.40625000 1.0 
     -0.00000000       0.00000000       0.39062500 1.0 
     -0.00000000       0.00000000       0.37500000 1.0 
      0.00000000       0.00000000       0.35937500 1.0 
      0.00000000       0.00000000       0.34375000 1.0 
      0.00000000       0.00000000       0.32812500 1.0 
      0.00000000       0.00000000       0.31250000 1.0 
      0.00000000       0.00000000       0.29687500 1.0 
     -0.00000000       0.00000000       0.28125000 1.0 
      0.00000000       0.00000000       0.26562500 1.0 
     -0.00000000       0.00000000       0.25000000 1.0 
      0.00000000       0.00000000       0.23437500 1.0 
      0.00000000       0.00000000       0.21875000 1.0 
     -0.00000000       0.00000000       0.20312500 1.0 
     -0.00000000       0.00000000       0.18750000 1.0 
      0.00000000       0.00000000       0.17187500 1.0 
     -0.00000000       0.00000000       0.15625000 1.0 
      0.00000000       0.00000000       0.14062500 1.0 
     -0.00000000       0.00000000       0.12500000 1.0 
      0.00000000      -0.00000000       0.10937500 1.0 
      0.00000000      -0.00000000       0.09375000 1.0 
      0.00000000      -0.00000000       0.07812500 1.0 
     -0.00000000       0.00000000       0.06250000 1.0 
     -0.00000000       0.00000000       0.04687500 1.0 
     -0.00000000       0.00000000       0.03125000 1.0 
      0.00000000       0.00000000       0.01562500 1.0 
      0.00000000       0.00000000       0.00000000 1.0 
      0.00000000       0.00000000       0.00000000 1.0 
     -0.01923077       0.01923077       0.00000000 1.0 
     -0.03846154       0.03846154       0.00000000 1.0 
     -0.05769231       0.05769231       0.00000000 1.0 
     -0.07692308       0.07692308       0.00000000 1.0 
     -0.09615385       0.09615385       0.00000000 1.0 
     -0.11538462       0.11538462       0.00000000 1.0 
     -0.13461538       0.13461538       0.00000000 1.0 
     -0.15384615       0.15384615       0.00000000 1.0 
     -0.17307692       0.17307692       0.00000000 1.0 
     -0.19230769       0.19230769       0.00000000 1.0 
     -0.21153846       0.21153846       0.00000000 1.0 
     -0.23076923       0.23076923       0.00000000 1.0 
     -0.25000000       0.25000000       0.00000000 1.0 
     -0.26923077       0.26923077       0.00000000 1.0 
     -0.28846154       0.28846154       0.00000000 1.0 
     -0.30769231       0.30769231       0.00000000 1.0 
     -0.32692308       0.32692308       0.00000000 1.0 
     -0.34615385       0.34615385       0.00000000 1.0 
     -0.36538462       0.36538462       0.00000000 1.0 
     -0.38461538       0.38461538       0.00000000 1.0 
     -0.40384615       0.40384615       0.00000000 1.0 
     -0.42307692       0.42307692       0.00000000 1.0 
     -0.44230769       0.44230769       0.00000000 1.0 
     -0.46153846       0.46153846       0.00000000 1.0 
     -0.48076923       0.48076923       0.00000000 1.0 
     -0.50000000       0.50000000       0.00000000 1.0 
     -0.50000000       0.50000000       0.00000000 1.0 
     -0.49315110       0.50684889       0.00000000 1.0 
     -0.48630221       0.51369779       0.00000000 1.0 
     -0.47945331       0.52054669       0.00000000 1.0 
     -0.47260442       0.52739558       0.00000000 1.0 
     -0.46575553       0.53424448       0.00000000 1.0 
     -0.45890663       0.54109337       0.00000000 1.0 
     -0.45205774       0.54794227       0.00000000 1.0 
     -0.44520884       0.55479116       0.00000000 1.0 
     -0.43835995       0.56164006       0.00000000 1.0 
     -0.43151105       0.56848895       0.00000000 1.0 
     -0.42466216       0.57533785       0.00000000 1.0 
     -0.41781326       0.58218674       0.00000000 1.0 
     -0.41096436       0.58903564       0.00000000 1.0 
     -0.40411547       0.59588453       0.00000000 1.0 
     -0.39726658       0.60273343       0.00000000 1.0 
     -0.39041768       0.60958232       0.00000000 1.0 
     -0.38356878       0.61643121       0.00000000 1.0 
     -0.37671989       0.62328011       0.00000000 1.0 
     -0.36987099       0.63012901       0.00000000 1.0 
     -0.36302210       0.63697790       0.00000000 1.0 
     -0.35617320       0.64382679       0.00000000 1.0 
     -0.34932431       0.65067569       0.00000000 1.0 
     -0.34247541       0.65752458       0.00000000 1.0 
     -0.33562652       0.66437348       0.00000000 1.0 
     -0.32877762       0.67122238       0.00000000 1.0 
     -0.32192873       0.67807127       0.00000000 1.0 
     -0.31507983       0.68492017       0.00000000 1.0 
     -0.30823094       0.69176906       0.00000000 1.0 
     -0.30138204       0.69861796       0.00000000 1.0 
     -0.29453315       0.70546685       0.00000000 1.0 
     -0.28768425       0.71231575       0.00000000 1.0 
     -0.28083536       0.71916464       0.00000000 1.0 
     -0.28083536       0.71916464       0.00000000 1.0 
     -0.28083536       0.71916464       0.01562500 1.0 
     -0.28083536       0.71916464       0.03125000 1.0 
     -0.28083536       0.71916464       0.04687500 1.0 
     -0.28083536       0.71916464       0.06250000 1.0 
     -0.28083536       0.71916464       0.07812500 1.0 
     -0.28083536       0.71916464       0.09375000 1.0 
     -0.28083536       0.71916464       0.10937500 1.0 
     -0.28083536       0.71916464       0.12500000 1.0 
     -0.28083536       0.71916464       0.14062500 1.0 
     -0.28083536       0.71916464       0.15625000 1.0 
     -0.28083536       0.71916464       0.17187500 1.0 
     -0.28083536       0.71916464       0.18750000 1.0 
     -0.28083536       0.71916464       0.20312500 1.0 
     -0.28083536       0.71916464       0.21875000 1.0 
     -0.28083536       0.71916464       0.23437500 1.0 
     -0.28083536       0.71916464       0.25000000 1.0 
     -0.28083536       0.71916464       0.26562500 1.0 
     -0.28083536       0.71916464       0.28125000 1.0 
     -0.28083536       0.71916464       0.29687500 1.0 
     -0.28083536       0.71916464       0.31250000 1.0 
     -0.28083536       0.71916464       0.32812500 1.0 
     -0.28083536       0.71916464       0.34375000 1.0 
     -0.28083536       0.71916464       0.35937500 1.0 
     -0.28083536       0.71916464       0.37500000 1.0 
     -0.28083536       0.71916464       0.39062500 1.0 
     -0.28083536       0.71916464       0.40625000 1.0 
     -0.28083536       0.71916464       0.42187500 1.0 
     -0.28083536       0.71916464       0.43750000 1.0 
     -0.28083536       0.71916464       0.45312500 1.0 
     -0.28083536       0.71916464       0.46875000 1.0 
     -0.28083536       0.71916464       0.48437500 1.0 
     -0.28083536       0.71916464       0.50000000 1.0 
     -0.28083536       0.71916464       0.50000000 1.0 
     -0.28768425       0.71231575       0.50000000 1.0 
     -0.29453315       0.70546685       0.50000000 1.0 
     -0.30138204       0.69861796       0.50000000 1.0 
     -0.30823094       0.69176906       0.50000000 1.0 
     -0.31507983       0.68492017       0.50000000 1.0 
     -0.32192873       0.67807127       0.50000000 1.0 
     -0.32877762       0.67122238       0.50000000 1.0 
     -0.33562652       0.66437348       0.50000000 1.0 
     -0.34247541       0.65752458       0.50000000 1.0 
     -0.34932431       0.65067569       0.50000000 1.0 
     -0.35617320       0.64382679       0.50000000 1.0 
     -0.36302210       0.63697790       0.50000000 1.0 
     -0.36987099       0.63012901       0.50000000 1.0 
     -0.37671989       0.62328011       0.50000000 1.0 
     -0.38356878       0.61643121       0.50000000 1.0 
     -0.39041768       0.60958232       0.50000000 1.0 
     -0.39726658       0.60273343       0.50000000 1.0 
     -0.40411547       0.59588453       0.50000000 1.0 
     -0.41096436       0.58903564       0.50000000 1.0 
     -0.41781326       0.58218674       0.50000000 1.0 
     -0.42466216       0.57533785       0.50000000 1.0 
     -0.43151105       0.56848895       0.50000000 1.0 
     -0.43835995       0.56164006       0.50000000 1.0 
     -0.44520884       0.55479116       0.50000000 1.0 
     -0.45205774       0.54794226       0.50000000 1.0 
     -0.45890663       0.54109337       0.50000000 1.0 
     -0.46575553       0.53424448       0.50000000 1.0 
     -0.47260442       0.52739558       0.50000000 1.0 
     -0.47945332       0.52054669       0.50000000 1.0 
     -0.48630221       0.51369779       0.50000000 1.0 
     -0.49315110       0.50684889       0.50000000 1.0 
     -0.50000000       0.50000000       0.50000000 1.0 
     -0.50000000       0.50000000       0.50000000 1.0 
     -0.50000000       0.50000000       0.48437500 1.0 
     -0.50000000       0.50000000       0.46875000 1.0 
     -0.50000000       0.50000000       0.45312500 1.0 
     -0.50000000       0.50000000       0.43750000 1.0 
     -0.50000000       0.50000000       0.42187500 1.0 
     -0.50000000       0.50000000       0.40625000 1.0 
     -0.50000000       0.50000000       0.39062500 1.0 
     -0.50000000       0.50000000       0.37500000 1.0 
     -0.50000000       0.50000000       0.35937500 1.0 
     -0.50000000       0.50000000       0.34375000 1.0 
     -0.50000000       0.50000000       0.32812500 1.0 
     -0.50000000       0.50000000       0.31250000 1.0 
     -0.50000000       0.50000000       0.29687500 1.0 
     -0.50000000       0.50000000       0.28125000 1.0 
     -0.50000000       0.50000000       0.26562500 1.0 
     -0.50000000       0.50000000       0.25000000 1.0 
     -0.50000000       0.50000000       0.23437500 1.0 
     -0.50000000       0.50000000       0.21875000 1.0 
     -0.50000000       0.50000000       0.20312500 1.0 
     -0.50000000       0.50000000       0.18750000 1.0 
     -0.50000000       0.50000000       0.17187500 1.0 
     -0.50000000       0.50000000       0.15625000 1.0 
     -0.50000000       0.50000000       0.14062500 1.0 
     -0.50000000       0.50000000       0.12500000 1.0 
     -0.50000000       0.50000000       0.10937500 1.0 
     -0.50000000       0.50000000       0.09375000 1.0 
     -0.50000000       0.50000000       0.07812500 1.0 
     -0.50000000       0.50000000       0.06250000 1.0 
     -0.50000000       0.50000000       0.04687500 1.0 
     -0.50000000       0.50000000       0.03125000 1.0 
     -0.50000000       0.50000000       0.01562500 1.0 
     -0.50000000       0.50000000       0.00000000 1.0 
     -0.00000000       0.00000000       0.50000000 1.0 
     -0.01923077       0.01923077       0.50000000 1.0 
     -0.03846154       0.03846154       0.50000000 1.0 
     -0.05769231       0.05769231       0.50000000 1.0 
     -0.07692308       0.07692308       0.50000000 1.0 
     -0.09615385       0.09615385       0.50000000 1.0 
     -0.11538462       0.11538462       0.50000000 1.0 
     -0.13461538       0.13461538       0.50000000 1.0 
     -0.15384615       0.15384615       0.50000000 1.0 
     -0.17307692       0.17307692       0.50000000 1.0 
     -0.19230769       0.19230769       0.50000000 1.0 
     -0.21153846       0.21153846       0.50000000 1.0 
     -0.23076923       0.23076923       0.50000000 1.0 
     -0.25000000       0.25000000       0.50000000 1.0 
     -0.26923077       0.26923077       0.50000000 1.0 
     -0.28846154       0.28846154       0.50000000 1.0 
     -0.30769231       0.30769231       0.50000000 1.0 
     -0.32692308       0.32692308       0.50000000 1.0 
     -0.34615385       0.34615385       0.50000000 1.0 
     -0.36538462       0.36538462       0.50000000 1.0 
     -0.38461538       0.38461538       0.50000000 1.0 
     -0.40384615       0.40384615       0.50000000 1.0 
     -0.42307692       0.42307692       0.50000000 1.0 
     -0.44230769       0.44230769       0.50000000 1.0 
     -0.46153846       0.46153846       0.50000000 1.0 
     -0.48076923       0.48076923       0.50000000 1.0 
     -0.50000000       0.50000000       0.50000000 1.0 

