! Pwscf input file created with ciftopw.py 
! Compound: Tl2ZnI4
&control
         calculation     = 'bands'
         prefix          = 'Tl2ZnI4'
         restart_mode    = 'from_scratch'
         outdir          = './'
         wf_collect      = .true.
         verbosity       = 'high'
       /
&system
         ibrav           =  14
         celldm(1)       =           15.0630058583190003
         celldm(2)       =            0.9611090201982184
         celldm(3)       =            1.1687220074904445
         celldm(4)       =            0.3081949817014281
         celldm(5)       =            0.0000000000000001
         celldm(6)       =            0.0000000000000001
         nat             =       14
         ntyp            =        3
         ecutwfc         =       45.00000000
         ecutrho         =      276.00000000
         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 
 I 126.9045 I.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
Zn  65.4090 Zn.rel-pbe-dn-rrkjus_psl.1.0.0.UPF 
ATOMIC_POSITIONS crystal
K_POINTS crystal
181
      0.00000000       0.00000000       0.00000000 1.0 
      0.00000000       0.00000000       0.02777778 1.0 
      0.00000000       0.00000000       0.05555556 1.0 
      0.00000000       0.00000000       0.08333333 1.0 
      0.00000000       0.00000000       0.11111111 1.0 
      0.00000000       0.00000000       0.13888889 1.0 
      0.00000000       0.00000000       0.16666667 1.0 
      0.00000000       0.00000000       0.19444444 1.0 
      0.00000000       0.00000000       0.22222222 1.0 
      0.00000000       0.00000000       0.25000000 1.0 
      0.00000000       0.00000000       0.27777778 1.0 
      0.00000000       0.00000000       0.30555556 1.0 
      0.00000000       0.00000000       0.33333333 1.0 
      0.00000000       0.00000000       0.36111111 1.0 
      0.00000000       0.00000000       0.38888889 1.0 
      0.00000000       0.00000000       0.41666667 1.0 
      0.00000000       0.00000000       0.44444444 1.0 
      0.00000000       0.00000000       0.47222222 1.0 
      0.00000000       0.00000000       0.50000000 1.0 
      0.00000000       0.00000000       0.50000000 1.0 
      0.00000000       0.02426194       0.50909263 1.0 
      0.00000000       0.04852389       0.51818527 1.0 
      0.00000000       0.07278583       0.52727790 1.0 
      0.00000000       0.09704778       0.53637054 1.0 
      0.00000000       0.12130972       0.54546317 1.0 
      0.00000000       0.14557166       0.55455581 1.0 
      0.00000000       0.16983361       0.56364844 1.0 
      0.00000000       0.19409555       0.57274107 1.0 
      0.00000000       0.21835750       0.58183371 1.0 
      0.00000000       0.24261944       0.59092634 1.0 
      0.00000000       0.26688138       0.60001898 1.0 
      0.00000000       0.29114333       0.60911161 1.0 
      0.00000000       0.31540527       0.61820425 1.0 
      0.00000000       0.33966722       0.62729688 1.0 
      0.00000000       0.36392916       0.63638952 1.0 
      0.00000000       0.38819110       0.64548215 1.0 
      0.00000000       0.41245305       0.65457478 1.0 
      0.00000000       0.41245305       0.65457478 1.0 
      0.00000000       0.42339642       0.63525294 1.0 
      0.00000000       0.43433979       0.61593109 1.0 
      0.00000000       0.44528315       0.59660924 1.0 
      0.00000000       0.45622652       0.57728739 1.0 
      0.00000000       0.46716989       0.55796554 1.0 
      0.00000000       0.47811326       0.53864370 1.0 
      0.00000000       0.48905663       0.51932185 1.0 
      0.00000000       0.50000000       0.50000000 1.0 
      0.00000000       0.50000000       0.50000000 1.0 
      0.02500000       0.50000000       0.50000000 1.0 
      0.05000000       0.50000000       0.50000000 1.0 
      0.07500000       0.50000000       0.50000000 1.0 
      0.10000000       0.50000000       0.50000000 1.0 
      0.12500000       0.50000000       0.50000000 1.0 
      0.15000000       0.50000000       0.50000000 1.0 
      0.17500000       0.50000000       0.50000000 1.0 
      0.20000000       0.50000000       0.50000000 1.0 
      0.22500000       0.50000000       0.50000000 1.0 
      0.25000000       0.50000000       0.50000000 1.0 
      0.27500000       0.50000000       0.50000000 1.0 
      0.30000000       0.50000000       0.50000000 1.0 
      0.32500000       0.50000000       0.50000000 1.0 
      0.35000000       0.50000000       0.50000000 1.0 
      0.37500000       0.50000000       0.50000000 1.0 
      0.40000000       0.50000000       0.50000000 1.0 
      0.42500000       0.50000000       0.50000000 1.0 
      0.45000000       0.50000000       0.50000000 1.0 
      0.47500000       0.50000000       0.50000000 1.0 
      0.50000000       0.50000000       0.50000000 1.0 
      0.50000000       0.50000000       0.50000000 1.0 
      0.50000000       0.51094337       0.48067815 1.0 
      0.50000000       0.52188674       0.46135630 1.0 
      0.50000000       0.53283011       0.44203446 1.0 
      0.50000000       0.54377348       0.42271261 1.0 
      0.50000000       0.55471685       0.40339076 1.0 
      0.50000000       0.56566021       0.38406891 1.0 
      0.50000000       0.57660358       0.36474706 1.0 
      0.50000000       0.58754695       0.34542522 1.0 
      0.50000000       0.58754695       0.34542522 1.0 
      0.50000000       0.58025137       0.31663978 1.0 
      0.50000000       0.57295579       0.28785435 1.0 
      0.50000000       0.56566021       0.25906891 1.0 
      0.50000000       0.55836463       0.23028348 1.0 
      0.50000000       0.55106906       0.20149804 1.0 
      0.50000000       0.54377348       0.17271261 1.0 
      0.50000000       0.53647790       0.14392717 1.0 
      0.50000000       0.52918232       0.11514174 1.0 
      0.50000000       0.52188674       0.08635630 1.0 
      0.50000000       0.51459116       0.05757087 1.0 
      0.50000000       0.50729558       0.02878543 1.0 
      0.50000000       0.50000000       0.00000000 1.0 
      0.50000000       0.50000000       0.00000000 1.0 
      0.47500000       0.50000000       0.00000000 1.0 
      0.45000000       0.50000000       0.00000000 1.0 
      0.42500000       0.50000000       0.00000000 1.0 
      0.40000000       0.50000000       0.00000000 1.0 
      0.37500000       0.50000000       0.00000000 1.0 
      0.35000000       0.50000000       0.00000000 1.0 
      0.32500000       0.50000000       0.00000000 1.0 
      0.30000000       0.50000000       0.00000000 1.0 
      0.27500000       0.50000000       0.00000000 1.0 
      0.25000000       0.50000000       0.00000000 1.0 
      0.22500000       0.50000000       0.00000000 1.0 
      0.20000000       0.50000000       0.00000000 1.0 
      0.17500000       0.50000000       0.00000000 1.0 
      0.15000000       0.50000000       0.00000000 1.0 
      0.12500000       0.50000000       0.00000000 1.0 
      0.10000000       0.50000000       0.00000000 1.0 
      0.07500000       0.50000000       0.00000000 1.0 
      0.05000000       0.50000000       0.00000000 1.0 
      0.02500000       0.50000000       0.00000000 1.0 
      0.00000000       0.50000000       0.00000000 1.0 
      0.00000000       0.50000000       0.00000000 1.0 
      0.00000000       0.50729558       0.02878543 1.0 
      0.00000000       0.51459116       0.05757087 1.0 
      0.00000000       0.52188674       0.08635630 1.0 
      0.00000000       0.52918232       0.11514174 1.0 
      0.00000000       0.53647790       0.14392717 1.0 
      0.00000000       0.54377348       0.17271261 1.0 
      0.00000000       0.55106906       0.20149804 1.0 
      0.00000000       0.55836463       0.23028348 1.0 
      0.00000000       0.56566021       0.25906891 1.0 
      0.00000000       0.57295579       0.28785435 1.0 
      0.00000000       0.58025137       0.31663978 1.0 
      0.00000000       0.58754695       0.34542522 1.0 
      0.50000000       0.41245305       0.65457478 1.0 
      0.50000000       0.38819110       0.64548215 1.0 
      0.50000000       0.36392916       0.63638952 1.0 
      0.50000000       0.33966722       0.62729688 1.0 
      0.50000000       0.31540527       0.61820425 1.0 
      0.50000000       0.29114333       0.60911161 1.0 
      0.50000000       0.26688138       0.60001898 1.0 
      0.50000000       0.24261944       0.59092634 1.0 
      0.50000000       0.21835750       0.58183371 1.0 
      0.50000000       0.19409555       0.57274107 1.0 
      0.50000000       0.16983361       0.56364844 1.0 
      0.50000000       0.14557166       0.55455581 1.0 
      0.50000000       0.12130972       0.54546317 1.0 
      0.50000000       0.09704778       0.53637054 1.0 
      0.50000000       0.07278583       0.52727790 1.0 
      0.50000000       0.04852389       0.51818527 1.0 
      0.50000000       0.02426194       0.50909263 1.0 
      0.50000000       0.00000000       0.50000000 1.0 
      0.50000000       0.00000000       0.50000000 1.0 
      0.50000000       0.00000000       0.47222222 1.0 
      0.50000000       0.00000000       0.44444444 1.0 
      0.50000000       0.00000000       0.41666667 1.0 
      0.50000000       0.00000000       0.38888889 1.0 
      0.50000000       0.00000000       0.36111111 1.0 
      0.50000000       0.00000000       0.33333333 1.0 
      0.50000000       0.00000000       0.30555556 1.0 
      0.50000000       0.00000000       0.27777778 1.0 
      0.50000000       0.00000000       0.25000000 1.0 
      0.50000000       0.00000000       0.22222222 1.0 
      0.50000000       0.00000000       0.19444444 1.0 
      0.50000000       0.00000000       0.16666667 1.0 
      0.50000000       0.00000000       0.13888889 1.0 
      0.50000000       0.00000000       0.11111111 1.0 
      0.50000000       0.00000000       0.08333333 1.0 
      0.50000000       0.00000000       0.05555556 1.0 
      0.50000000       0.00000000       0.02777778 1.0 
      0.50000000       0.00000000       0.00000000 1.0 
      0.00000000       0.00000000       0.50000000 1.0 
      0.02500000       0.00000000       0.50000000 1.0 
      0.05000000       0.00000000       0.50000000 1.0 
      0.07500000       0.00000000       0.50000000 1.0 
      0.10000000       0.00000000       0.50000000 1.0 
      0.12500000       0.00000000       0.50000000 1.0 
      0.15000000       0.00000000       0.50000000 1.0 
      0.17500000       0.00000000       0.50000000 1.0 
      0.20000000       0.00000000       0.50000000 1.0 
      0.22500000       0.00000000       0.50000000 1.0 
      0.25000000       0.00000000       0.50000000 1.0 
      0.27500000       0.00000000       0.50000000 1.0 
      0.30000000       0.00000000       0.50000000 1.0 
      0.32500000       0.00000000       0.50000000 1.0 
      0.35000000       0.00000000       0.50000000 1.0 
      0.37500000       0.00000000       0.50000000 1.0 
      0.40000000       0.00000000       0.50000000 1.0 
      0.42500000       0.00000000       0.50000000 1.0 
      0.45000000       0.00000000       0.50000000 1.0 
      0.47500000       0.00000000       0.50000000 1.0 
      0.50000000       0.00000000       0.50000000 1.0 

