! Pwscf input file created with ciftopw.py 
! Compound: Cd2As3I
&control
         calculation     = 'bands'
         prefix          = 'Cd2As3I'
         restart_mode    = 'from_scratch'
         outdir          = './'
         wf_collect      = .true.
         verbosity       = 'high'
       /
&system
         ibrav           =  14
         celldm(1)       =           12.0710059112590748
         celldm(2)       =            1.0000000000000000
         celldm(3)       =            1.2448921966405191
         celldm(4)       =            0.1220352207726789
         celldm(5)       =            0.1220352207726789
         celldm(6)       =           -0.1279248867961860
         nat             =       12
         ntyp            =        3
         ecutwfc         =       38.00000000
         ecutrho         =      639.00000000
         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
Cd 112.4110 Cd.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
As  74.9216 As.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
 I 126.9045 I.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
ATOMIC_POSITIONS crystal
K_POINTS crystal
249
      0.00000000       0.00000000       0.00000000 1.0 
      0.01303800       0.01303800       0.00198074 1.0 
      0.02607600       0.02607600       0.00396148 1.0 
      0.03911399       0.03911399       0.00594223 1.0 
      0.05215199       0.05215199       0.00792297 1.0 
      0.06518999       0.06518999       0.00990371 1.0 
      0.07822799       0.07822799       0.01188445 1.0 
      0.09126599       0.09126599       0.01386519 1.0 
      0.10430398       0.10430398       0.01584593 1.0 
      0.11734198       0.11734198       0.01782668 1.0 
      0.13037998       0.13037998       0.01980742 1.0 
      0.14341798       0.14341798       0.02178816 1.0 
      0.15645598       0.15645598       0.02376890 1.0 
      0.16949397       0.16949397       0.02574964 1.0 
      0.18253197       0.18253197       0.02773038 1.0 
      0.19556997       0.19556997       0.02971113 1.0 
      0.20860797       0.20860797       0.03169187 1.0 
      0.22164597       0.22164597       0.03367261 1.0 
      0.23468396       0.23468396       0.03565335 1.0 
      0.24772196       0.24772196       0.03763409 1.0 
      0.26075996       0.26075996       0.03961483 1.0 
      0.27379796       0.27379796       0.04159558 1.0 
      0.28683595       0.28683595       0.04357632 1.0 
      0.29987395       0.29987395       0.04555706 1.0 
      0.31291195       0.31291195       0.04753780 1.0 
      0.32594995       0.32594995       0.04951854 1.0 
      0.33898795       0.33898795       0.05149928 1.0 
      0.35202594       0.35202594       0.05348003 1.0 
      0.36506394       0.36506394       0.05546077 1.0 
      0.37810194       0.37810194       0.05744151 1.0 
      0.39113994       0.39113994       0.05942225 1.0 
      0.40417794       0.40417794       0.06140299 1.0 
      0.41721593       0.41721593       0.06338373 1.0 
      0.43025393       0.43025393       0.06536448 1.0 
      0.44329193       0.44329193       0.06734522 1.0 
      0.44329193       0.44329193       0.06734522 1.0 
      0.44575705       0.44575705       0.09249216 1.0 
      0.44822218       0.44822218       0.11763909 1.0 
      0.45068730       0.45068730       0.14278603 1.0 
      0.45315242       0.45315242       0.16793297 1.0 
      0.45561754       0.45561754       0.19307991 1.0 
      0.45808267       0.45808267       0.21822684 1.0 
      0.46054779       0.46054779       0.24337378 1.0 
      0.46301291       0.46301291       0.26852072 1.0 
      0.46547804       0.46547804       0.29366766 1.0 
      0.46794316       0.46794316       0.31881460 1.0 
      0.47040828       0.47040828       0.34396153 1.0 
      0.47287340       0.47287340       0.36910847 1.0 
      0.47533853       0.47533853       0.39425541 1.0 
      0.47780365       0.47780365       0.41940235 1.0 
      0.48026877       0.48026877       0.44454929 1.0 
      0.48273389       0.48273389       0.46969622 1.0 
      0.48519902       0.48519902       0.49484316 1.0 
      0.48519902       0.48519902       0.49484316 1.0 
      0.47681760       0.47681760       0.50934357 1.0 
      0.46843618       0.46843618       0.52384398 1.0 
      0.46005476       0.46005476       0.53834439 1.0 
      0.45167335       0.45167335       0.55284481 1.0 
      0.44329193       0.44329193       0.56734522 1.0 
      0.43491051       0.43491051       0.58184563 1.0 
      0.42652910       0.42652910       0.59634604 1.0 
      0.41814768       0.41814768       0.61084645 1.0 
      0.40976626       0.40976626       0.62534686 1.0 
      0.40138484       0.40138484       0.63984727 1.0 
      0.40138484       0.40138484       0.63984727 1.0 
      0.38800535       0.38800535       0.63518570 1.0 
      0.37462585       0.37462585       0.63052412 1.0 
      0.36124636       0.36124636       0.62586255 1.0 
      0.34786686       0.34786686       0.62120097 1.0 
      0.33448737       0.33448737       0.61653940 1.0 
      0.32110787       0.32110787       0.61187782 1.0 
      0.30772838       0.30772838       0.60721624 1.0 
      0.29434888       0.29434888       0.60255467 1.0 
      0.28096939       0.28096939       0.59789309 1.0 
      0.26758990       0.26758990       0.59323152 1.0 
      0.25421040       0.25421040       0.58856994 1.0 
      0.24083091       0.24083091       0.58390836 1.0 
      0.22745141       0.22745141       0.57924679 1.0 
      0.21407192       0.21407192       0.57458521 1.0 
      0.20069242       0.20069242       0.56992364 1.0 
      0.18731293       0.18731293       0.56526206 1.0 
      0.17393343       0.17393343       0.56060049 1.0 
      0.16055394       0.16055394       0.55593891 1.0 
      0.14717444       0.14717444       0.55127733 1.0 
      0.13379495       0.13379495       0.54661576 1.0 
      0.12041545       0.12041545       0.54195418 1.0 
      0.10703596       0.10703596       0.53729261 1.0 
      0.09365646       0.09365646       0.53263103 1.0 
      0.08027697       0.08027697       0.52796945 1.0 
      0.06689747       0.06689747       0.52330788 1.0 
      0.05351798       0.05351798       0.51864630 1.0 
      0.04013848       0.04013848       0.51398473 1.0 
      0.02675899       0.02675899       0.50932315 1.0 
      0.01337949       0.01337949       0.50466158 1.0 
      0.00000000       0.00000000       0.50000000 1.0 
      0.00000000       0.00000000       0.50000000 1.0 
      0.01515152      -0.01515152       0.50000000 1.0 
      0.03030303      -0.03030303       0.50000000 1.0 
      0.04545455      -0.04545455       0.50000000 1.0 
      0.06060606      -0.06060606       0.50000000 1.0 
      0.07575758      -0.07575758       0.50000000 1.0 
      0.09090909      -0.09090909       0.50000000 1.0 
      0.10606061      -0.10606061       0.50000000 1.0 
      0.12121212      -0.12121212       0.50000000 1.0 
      0.13636364      -0.13636364       0.50000000 1.0 
      0.15151515      -0.15151515       0.50000000 1.0 
      0.16666667      -0.16666667       0.50000000 1.0 
      0.18181818      -0.18181818       0.50000000 1.0 
      0.19696970      -0.19696970       0.50000000 1.0 
      0.21212121      -0.21212121       0.50000000 1.0 
      0.22727273      -0.22727273       0.50000000 1.0 
      0.24242424      -0.24242424       0.50000000 1.0 
      0.25757576      -0.25757576       0.50000000 1.0 
      0.27272727      -0.27272727       0.50000000 1.0 
      0.28787879      -0.28787879       0.50000000 1.0 
      0.30303030      -0.30303030       0.50000000 1.0 
      0.31818182      -0.31818182       0.50000000 1.0 
      0.33333333      -0.33333333       0.50000000 1.0 
      0.34848485      -0.34848485       0.50000000 1.0 
      0.36363636      -0.36363636       0.50000000 1.0 
      0.37878788      -0.37878788       0.50000000 1.0 
      0.39393939      -0.39393939       0.50000000 1.0 
      0.40909091      -0.40909091       0.50000000 1.0 
      0.42424242      -0.42424242       0.50000000 1.0 
      0.43939394      -0.43939394       0.50000000 1.0 
      0.45454545      -0.45454545       0.50000000 1.0 
      0.46969697      -0.46969697       0.50000000 1.0 
      0.48484848      -0.48484848       0.50000000 1.0 
      0.50000000      -0.50000000       0.50000000 1.0 
      0.50000000      -0.50000000       0.50000000 1.0 
      0.50740049      -0.49259951       0.50257842 1.0 
      0.51480098      -0.48519902       0.50515684 1.0 
      0.59861516      -0.40138484       0.36015273 1.0 
      0.59615003      -0.40384997       0.33500579 1.0 
      0.59368491      -0.40631509       0.30985885 1.0 
      0.59121979      -0.40878021       0.28471191 1.0 
      0.58875467      -0.41124533       0.25956497 1.0 
      0.58628954      -0.41371046       0.23441804 1.0 
      0.58382442      -0.41617558       0.20927110 1.0 
      0.58135930      -0.41864070       0.18412416 1.0 
      0.57889417      -0.42110583       0.15897722 1.0 
      0.57642905      -0.42357095       0.13383028 1.0 
      0.57396393      -0.42603607       0.10868335 1.0 
      0.57149881      -0.42850119       0.08353641 1.0 
      0.56903368      -0.43096632       0.05838947 1.0 
      0.56656856      -0.43343144       0.03324253 1.0 
      0.56410344      -0.43589656       0.00809560 1.0 
      0.56163832      -0.43836168      -0.01705134 1.0 
      0.55917319      -0.44082681      -0.04219828 1.0 
      0.55670807      -0.44329193      -0.06734522 1.0 
      0.55670807      -0.44329193      -0.06734522 1.0 
      0.54725672      -0.45274328      -0.05612101 1.0 
      0.53780538      -0.46219462      -0.04489681 1.0 
      0.52835403      -0.47164597      -0.03367261 1.0 
      0.51890269      -0.48109731      -0.02244841 1.0 
      0.50945134      -0.49054866      -0.01122420 1.0 
      0.50000000      -0.50000000      -0.00000000 1.0 
      0.50000000      -0.50000000      -0.00000000 1.0 
      0.48484848      -0.48484848      -0.00000000 1.0 
      0.46969697      -0.46969697      -0.00000000 1.0 
      0.45454545      -0.45454545      -0.00000000 1.0 
      0.43939394      -0.43939394      -0.00000000 1.0 
      0.42424242      -0.42424242      -0.00000000 1.0 
      0.40909091      -0.40909091      -0.00000000 1.0 
      0.39393939      -0.39393939      -0.00000000 1.0 
      0.37878788      -0.37878788      -0.00000000 1.0 
      0.36363636      -0.36363636      -0.00000000 1.0 
      0.34848485      -0.34848485      -0.00000000 1.0 
      0.33333333      -0.33333333      -0.00000000 1.0 
      0.31818182      -0.31818182      -0.00000000 1.0 
      0.30303030      -0.30303030      -0.00000000 1.0 
      0.28787879      -0.28787879      -0.00000000 1.0 
      0.27272727      -0.27272727      -0.00000000 1.0 
      0.25757576      -0.25757576      -0.00000000 1.0 
      0.24242424      -0.24242424      -0.00000000 1.0 
      0.22727273      -0.22727273      -0.00000000 1.0 
      0.21212121      -0.21212121      -0.00000000 1.0 
      0.19696970      -0.19696970      -0.00000000 1.0 
      0.18181818      -0.18181818      -0.00000000 1.0 
      0.16666667      -0.16666667      -0.00000000 1.0 
      0.15151515      -0.15151515      -0.00000000 1.0 
      0.13636364      -0.13636364      -0.00000000 1.0 
      0.12121212      -0.12121212      -0.00000000 1.0 
      0.10606061      -0.10606061      -0.00000000 1.0 
      0.09090909      -0.09090909      -0.00000000 1.0 
      0.07575758      -0.07575758      -0.00000000 1.0 
      0.06060606      -0.06060606      -0.00000000 1.0 
      0.04545455      -0.04545455      -0.00000000 1.0 
      0.03030303      -0.03030303      -0.00000000 1.0 
      0.01515152      -0.01515152      -0.00000000 1.0 
      0.00000000       0.00000000       0.00000000 1.0 
      0.00000000       0.00000000       0.00000000 1.0 
      0.01923077       0.00000000       0.00000000 1.0 
      0.03846154       0.00000000       0.00000000 1.0 
      0.05769231       0.00000000       0.00000000 1.0 
      0.07692308       0.00000000       0.00000000 1.0 
      0.09615385       0.00000000       0.00000000 1.0 
      0.11538462       0.00000000       0.00000000 1.0 
      0.13461538       0.00000000      -0.00000000 1.0 
      0.15384615       0.00000000       0.00000000 1.0 
      0.17307692       0.00000000       0.00000000 1.0 
      0.19230769       0.00000000       0.00000000 1.0 
      0.21153846       0.00000000      -0.00000000 1.0 
      0.23076923       0.00000000       0.00000000 1.0 
      0.25000000       0.00000000       0.00000000 1.0 
      0.26923077       0.00000000      -0.00000000 1.0 
      0.28846154       0.00000000       0.00000000 1.0 
      0.30769231       0.00000000       0.00000000 1.0 
      0.32692308       0.00000000       0.00000000 1.0 
      0.34615385       0.00000000       0.00000000 1.0 
      0.36538462       0.00000000       0.00000000 1.0 
      0.38461538       0.00000000       0.00000000 1.0 
      0.40384615       0.00000000      -0.00000000 1.0 
      0.42307692       0.00000000      -0.00000000 1.0 
      0.44230769       0.00000000       0.00000000 1.0 
      0.46153846       0.00000000       0.00000000 1.0 
      0.48076923       0.00000000      -0.00000000 1.0 
      0.50000000       0.00000000       0.00000000 1.0 
      0.50000000       0.00000000       0.50000000 1.0 
      0.48333333       0.00000000       0.48333333 1.0 
      0.46666667       0.00000000       0.46666667 1.0 
      0.45000000       0.00000000       0.45000000 1.0 
      0.43333333       0.00000000       0.43333333 1.0 
      0.41666667       0.00000000       0.41666667 1.0 
      0.40000000       0.00000000       0.40000000 1.0 
      0.38333333       0.00000000       0.38333333 1.0 
      0.36666667       0.00000000       0.36666667 1.0 
      0.35000000       0.00000000       0.35000000 1.0 
      0.33333333       0.00000000       0.33333333 1.0 
      0.31666667       0.00000000       0.31666667 1.0 
      0.30000000       0.00000000       0.30000000 1.0 
      0.28333333       0.00000000       0.28333333 1.0 
      0.26666667       0.00000000       0.26666667 1.0 
      0.25000000       0.00000000       0.25000000 1.0 
      0.23333333       0.00000000       0.23333333 1.0 
      0.21666667       0.00000000       0.21666667 1.0 
      0.20000000       0.00000000       0.20000000 1.0 
      0.18333333       0.00000000       0.18333333 1.0 
      0.16666667       0.00000000       0.16666667 1.0 
      0.15000000       0.00000000       0.15000000 1.0 
      0.13333333      -0.00000000       0.13333333 1.0 
      0.11666667      -0.00000000       0.11666667 1.0 
      0.10000000       0.00000000       0.10000000 1.0 
      0.08333333       0.00000000       0.08333333 1.0 
      0.06666667       0.00000000       0.06666667 1.0 
      0.05000000       0.00000000       0.05000000 1.0 
      0.03333333       0.00000000       0.03333333 1.0 
      0.01666667       0.00000000       0.01666667 1.0 
      0.00000000       0.00000000       0.00000000 1.0 

