! Pwscf input file created with ciftopw.py 
! Compound: Tl5Se2Br
&control
         calculation     = 'bands'
         prefix          = 'Tl5Se2Br'
         restart_mode    = 'from_scratch'
         outdir          = './'
         wf_collect      = .true.
         verbosity       = 'high'
       /
&system
         ibrav           =  14
         celldm(1)       =           16.6694457248574182
         celldm(2)       =            1.0000000000000000
         celldm(3)       =            1.0000000000000000
         celldm(4)       =           -0.5254127614354530
         celldm(5)       =           -0.5254127614354530
         celldm(6)       =            0.0508255228709055
         nat             =       16
         ntyp            =        3
         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 
Se  78.9600 Se.rel-pbe-n-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
202
      0.00000000       0.00000000       0.00000000 1.0 
      0.00000000       0.00000000       0.01923077 1.0 
      0.00000000       0.00000000       0.03846154 1.0 
      0.00000000       0.00000000       0.05769231 1.0 
      0.00000000       0.00000000       0.07692308 1.0 
      0.00000000       0.00000000       0.09615385 1.0 
      0.00000000       0.00000000       0.11538462 1.0 
      0.00000000       0.00000000       0.13461538 1.0 
      0.00000000       0.00000000       0.15384615 1.0 
      0.00000000       0.00000000       0.17307692 1.0 
      0.00000000       0.00000000       0.19230769 1.0 
      0.00000000       0.00000000       0.21153846 1.0 
      0.00000000       0.00000000       0.23076923 1.0 
      0.00000000       0.00000000       0.25000000 1.0 
      0.00000000       0.00000000       0.26923077 1.0 
      0.00000000       0.00000000       0.28846154 1.0 
      0.00000000       0.00000000       0.30769231 1.0 
      0.00000000       0.00000000       0.32692308 1.0 
      0.00000000       0.00000000       0.34615385 1.0 
      0.00000000       0.00000000       0.36538462 1.0 
      0.00000000       0.00000000       0.38461538 1.0 
      0.00000000       0.00000000       0.40384615 1.0 
      0.00000000       0.00000000       0.42307692 1.0 
      0.00000000       0.00000000       0.44230769 1.0 
      0.00000000       0.00000000       0.46153846 1.0 
      0.00000000       0.00000000       0.48076923 1.0 
      0.00000000       0.00000000       0.50000000 1.0 
      0.00000000       0.00000000       0.50000000 1.0 
     -0.01881803       0.01881803       0.50000000 1.0 
     -0.03763606       0.03763606       0.50000000 1.0 
     -0.05645410       0.05645410       0.50000000 1.0 
     -0.07527213       0.07527213       0.50000000 1.0 
     -0.09409016       0.09409016       0.50000000 1.0 
     -0.11290819       0.11290819       0.50000000 1.0 
     -0.13172622       0.13172622       0.50000000 1.0 
     -0.15054426       0.15054426       0.50000000 1.0 
     -0.16936229       0.16936229       0.50000000 1.0 
     -0.18818032       0.18818032       0.50000000 1.0 
     -0.20699835       0.20699835       0.50000000 1.0 
     -0.22581638       0.22581638       0.50000000 1.0 
     -0.22581638       0.22581638       0.50000000 1.0 
     -0.23827928       0.23827928       0.48753711 1.0 
     -0.25074217       0.25074217       0.47507422 1.0 
     -0.26320506       0.26320506       0.46261133 1.0 
     -0.27566795       0.27566795       0.45014843 1.0 
     -0.28813084       0.28813084       0.43768554 1.0 
     -0.30059373       0.30059373       0.42522265 1.0 
     -0.31305663       0.31305663       0.41275976 1.0 
     -0.32551952       0.32551952       0.40029687 1.0 
     -0.33798241       0.33798241       0.38783398 1.0 
     -0.35044530       0.35044530       0.37537108 1.0 
     -0.36290819       0.36290819       0.36290819 1.0 
     -0.36290819       0.36290819       0.36290819 1.0 
     -0.34946715       0.34946715       0.34946715 1.0 
     -0.33602610       0.33602610       0.33602610 1.0 
     -0.32258506       0.32258506       0.32258506 1.0 
     -0.30914402       0.30914402       0.30914402 1.0 
     -0.29570297       0.29570297       0.29570297 1.0 
     -0.28226193       0.28226193       0.28226193 1.0 
     -0.26882088       0.26882088       0.26882088 1.0 
     -0.25537984       0.25537984       0.25537984 1.0 
     -0.24193879       0.24193879       0.24193879 1.0 
     -0.22849775       0.22849775       0.22849775 1.0 
     -0.21505671       0.21505671       0.21505671 1.0 
     -0.20161566       0.20161566       0.20161566 1.0 
     -0.18817462       0.18817462       0.18817462 1.0 
     -0.17473357       0.17473357       0.17473357 1.0 
     -0.16129253       0.16129253       0.16129253 1.0 
     -0.14785149       0.14785149       0.14785149 1.0 
     -0.13441044       0.13441044       0.13441044 1.0 
     -0.12096940       0.12096940       0.12096940 1.0 
     -0.10752835       0.10752835       0.10752835 1.0 
     -0.09408731       0.09408731       0.09408731 1.0 
     -0.08064626       0.08064626       0.08064626 1.0 
     -0.06720522       0.06720522       0.06720522 1.0 
     -0.05376418       0.05376418       0.05376418 1.0 
     -0.04032313       0.04032313       0.04032313 1.0 
     -0.02688209       0.02688209       0.02688209 1.0 
     -0.01344104       0.01344104       0.01344104 1.0 
      0.00000000       0.00000000       0.00000000 1.0 
      0.00000000       0.00000000       0.00000000 1.0 
      0.02000000       0.02000000      -0.02000000 1.0 
      0.04000000       0.04000000      -0.04000000 1.0 
      0.06000000       0.06000000      -0.06000000 1.0 
      0.08000000       0.08000000      -0.08000000 1.0 
      0.10000000       0.10000000      -0.10000000 1.0 
      0.12000000       0.12000000      -0.12000000 1.0 
      0.14000000       0.14000000      -0.14000000 1.0 
      0.16000000       0.16000000      -0.16000000 1.0 
      0.18000000       0.18000000      -0.18000000 1.0 
      0.20000000       0.20000000      -0.20000000 1.0 
      0.22000000       0.22000000      -0.22000000 1.0 
      0.24000000       0.24000000      -0.24000000 1.0 
      0.26000000       0.26000000      -0.26000000 1.0 
      0.28000000       0.28000000      -0.28000000 1.0 
      0.30000000       0.30000000      -0.30000000 1.0 
      0.32000000       0.32000000      -0.32000000 1.0 
      0.34000000       0.34000000      -0.34000000 1.0 
      0.36000000       0.36000000      -0.36000000 1.0 
      0.38000000       0.38000000      -0.38000000 1.0 
      0.40000000       0.40000000      -0.40000000 1.0 
      0.42000000       0.42000000      -0.42000000 1.0 
      0.44000000       0.44000000      -0.44000000 1.0 
      0.46000000       0.46000000      -0.46000000 1.0 
      0.48000000       0.48000000      -0.48000000 1.0 
      0.50000000       0.50000000      -0.50000000 1.0 
      0.50000000       0.50000000      -0.50000000 1.0 
      0.48753711       0.51246289      -0.48753711 1.0 
      0.47507422       0.52492578      -0.47507422 1.0 
      0.46261133       0.53738867      -0.46261133 1.0 
      0.45014843       0.54985157      -0.45014843 1.0 
      0.43768554       0.56231446      -0.43768554 1.0 
      0.42522265       0.57477735      -0.42522265 1.0 
      0.41275976       0.58724024      -0.41275976 1.0 
      0.40029687       0.59970313      -0.40029687 1.0 
      0.38783398       0.61216602      -0.38783398 1.0 
      0.37537108       0.62462892      -0.37537108 1.0 
      0.36290819       0.63709181      -0.36290819 1.0 
      0.36290819       0.63709181      -0.36290819 1.0 
      0.33871431       0.62795235      -0.33871431 1.0 
      0.31452043       0.61881290      -0.31452043 1.0 
      0.29032655       0.60967345      -0.29032655 1.0 
      0.26613267       0.60053399      -0.26613267 1.0 
      0.24193879       0.59139454      -0.24193879 1.0 
      0.21774492       0.58225508      -0.21774492 1.0 
      0.19355104       0.57311563      -0.19355104 1.0 
      0.16935716       0.56397618      -0.16935716 1.0 
      0.14516328       0.55483672      -0.14516328 1.0 
      0.12096940       0.54569727      -0.12096940 1.0 
      0.09677552       0.53655782      -0.09677552 1.0 
      0.07258164       0.52741836      -0.07258164 1.0 
      0.04838776       0.51827891      -0.04838776 1.0 
      0.02419388       0.50913945      -0.02419388 1.0 
      0.00000000       0.50000000       0.00000000 1.0 
      0.00000000       0.50000000       0.00000000 1.0 
      0.01315789       0.48684211       0.01315789 1.0 
      0.02631579       0.47368421       0.02631579 1.0 
      0.03947368       0.46052632       0.03947368 1.0 
      0.05263158       0.44736842       0.05263158 1.0 
      0.06578947       0.43421053       0.06578947 1.0 
      0.07894737       0.42105263       0.07894737 1.0 
      0.09210526       0.40789474       0.09210526 1.0 
      0.10526316       0.39473684       0.10526316 1.0 
      0.11842105       0.38157895       0.11842105 1.0 
      0.13157895       0.36842105       0.13157895 1.0 
      0.14473684       0.35526316       0.14473684 1.0 
      0.15789474       0.34210526       0.15789474 1.0 
      0.17105263       0.32894737       0.17105263 1.0 
      0.18421053       0.31578947       0.18421053 1.0 
      0.19736842       0.30263158       0.19736842 1.0 
      0.21052632       0.28947368       0.21052632 1.0 
      0.22368421       0.27631579       0.22368421 1.0 
      0.23684211       0.26315789       0.23684211 1.0 
      0.25000000       0.25000000       0.25000000 1.0 
      0.25000000       0.25000000       0.25000000 1.0 
      0.26470588       0.26470588       0.22201080 1.0 
      0.27941176       0.27941176       0.19402160 1.0 
      0.29411765       0.29411765       0.16603240 1.0 
      0.30882353       0.30882353       0.13804320 1.0 
      0.32352941       0.32352941       0.11005400 1.0 
      0.33823529       0.33823529       0.08206481 1.0 
      0.35294118       0.35294118       0.05407561 1.0 
      0.36764706       0.36764706       0.02608641 1.0 
      0.38235294       0.38235294      -0.00190279 1.0 
      0.39705882       0.39705882      -0.02989199 1.0 
      0.41176471       0.41176471      -0.05788119 1.0 
      0.42647059       0.42647059      -0.08587039 1.0 
      0.44117647       0.44117647      -0.11385959 1.0 
      0.45588235       0.45588235      -0.14184879 1.0 
      0.47058824       0.47058824      -0.16983799 1.0 
      0.48529412       0.48529412      -0.19782718 1.0 
      0.50000000       0.50000000      -0.22581638 1.0 
      0.50000000       0.50000000      -0.22581638 1.0 
      0.50000000       0.50000000      -0.24409529 1.0 
      0.50000000       0.50000000      -0.26237420 1.0 
      0.50000000       0.50000000      -0.28065311 1.0 
      0.50000000       0.50000000      -0.29893201 1.0 
      0.50000000       0.50000000      -0.31721092 1.0 
      0.50000000       0.50000000      -0.33548983 1.0 
      0.50000000       0.50000000      -0.35376874 1.0 
      0.50000000       0.50000000      -0.37204765 1.0 
      0.50000000       0.50000000      -0.39032655 1.0 
      0.50000000       0.50000000      -0.40860546 1.0 
      0.50000000       0.50000000      -0.42688437 1.0 
      0.50000000       0.50000000      -0.44516328 1.0 
      0.50000000       0.50000000      -0.46344218 1.0 
      0.50000000       0.50000000      -0.48172109 1.0 
      0.50000000       0.50000000      -0.50000000 1.0 
      0.00000000       0.00000000       0.50000000 1.0 
      0.01923077       0.01923077       0.48076923 1.0 
      0.03846154       0.03846154       0.46153846 1.0 
      0.05769231       0.05769231       0.44230769 1.0 
      0.07692308       0.07692308       0.42307692 1.0 
      0.09615385       0.09615385       0.40384615 1.0 
      0.11538462       0.11538462       0.38461538 1.0 
      0.13461538       0.13461538       0.36538462 1.0 
      0.15384615       0.15384615       0.34615385 1.0 
      0.17307692       0.17307692       0.32692308 1.0 
      0.19230769       0.19230769       0.30769231 1.0 
      0.21153846       0.21153846       0.28846154 1.0 
      0.23076923       0.23076923       0.26923077 1.0 
      0.25000000       0.25000000       0.25000000 1.0 

