! Pwscf input file created with ciftopw.py 
! Compound: LiAsO3
&control
         calculation     = 'bands'
         prefix          = 'LiAsO3'
         restart_mode    = 'from_scratch'
         outdir          = './'
         wf_collect      = .true.
         verbosity       = 'high'
       /
&system
         ibrav           =  14
         celldm(1)       =           13.1113929688487350
         celldm(2)       =            1.0000000000000000
         celldm(3)       =            0.7566748602395931
         celldm(4)       =            0.2572768992923325
         celldm(5)       =            0.2572768992923325
         celldm(6)       =            0.0763798619943261
         nat             =       20
         ntyp            =        3
         ecutwfc         =      103.00000000
         ecutrho         =      412.00000000
         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
 O  15.9994 O.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
As  74.9216 As.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
Li   6.9410 Li.rel-pbe-s-rrkjus_psl.1.0.0.UPF 
ATOMIC_POSITIONS crystal
K_POINTS crystal
230
      0.00000000       0.00000000       0.00000000 1.0 
      0.01515152       0.01515152       0.00000000 1.0 
      0.03030303       0.03030303       0.00000000 1.0 
      0.04545455       0.04545455      -0.00000000 1.0 
      0.06060606       0.06060606       0.00000000 1.0 
      0.07575758       0.07575758       0.00000000 1.0 
      0.09090909       0.09090909      -0.00000000 1.0 
      0.10606061       0.10606061       0.00000000 1.0 
      0.12121212       0.12121212       0.00000000 1.0 
      0.13636364       0.13636364       0.00000000 1.0 
      0.15151515       0.15151515       0.00000000 1.0 
      0.16666667       0.16666667       0.00000000 1.0 
      0.18181818       0.18181818      -0.00000000 1.0 
      0.19696970       0.19696970       0.00000000 1.0 
      0.21212121       0.21212121       0.00000000 1.0 
      0.22727273       0.22727273       0.00000000 1.0 
      0.24242424       0.24242424       0.00000000 1.0 
      0.25757576       0.25757576       0.00000000 1.0 
      0.27272727       0.27272727       0.00000000 1.0 
      0.28787879       0.28787879       0.00000000 1.0 
      0.30303030       0.30303030       0.00000000 1.0 
      0.31818182       0.31818182       0.00000000 1.0 
      0.33333333       0.33333333       0.00000000 1.0 
      0.34848485       0.34848485       0.00000000 1.0 
      0.36363636       0.36363636      -0.00000000 1.0 
      0.37878788       0.37878788       0.00000000 1.0 
      0.39393939       0.39393939       0.00000000 1.0 
      0.40909091       0.40909091       0.00000000 1.0 
      0.42424242       0.42424242       0.00000000 1.0 
      0.43939394       0.43939394       0.00000000 1.0 
      0.45454545       0.45454545       0.00000000 1.0 
      0.46969697       0.46969697       0.00000000 1.0 
      0.48484848       0.48484848       0.00000000 1.0 
      0.50000000       0.50000000       0.00000000 1.0 
      0.50000000       0.50000000       0.00000000 1.0 
      0.50562398       0.50562398       0.01654064 1.0 
      0.51124796       0.51124796       0.03308128 1.0 
      0.51687194       0.51687194       0.04962192 1.0 
      0.52249592       0.52249592       0.06616257 1.0 
      0.52811990       0.52811990       0.08270321 1.0 
      0.53374389       0.53374389       0.09924385 1.0 
      0.53936787       0.53936787       0.11578449 1.0 
      0.54499185       0.54499185       0.13232513 1.0 
      0.55061583       0.55061583       0.14886577 1.0 
      0.55623981       0.55623981       0.16540641 1.0 
      0.56186379       0.56186379       0.18194706 1.0 
      0.56748777       0.56748777       0.19848770 1.0 
      0.57311175       0.57311175       0.21502834 1.0 
      0.57873573       0.57873573       0.23156898 1.0 
      0.58435971       0.58435971       0.24810962 1.0 
      0.58998369       0.58998369       0.26465026 1.0 
      0.59560767       0.59560767       0.28119090 1.0 
      0.60123166       0.60123166       0.29773155 1.0 
      0.60685564       0.60685564       0.31427219 1.0 
      0.61247962       0.61247962       0.33081283 1.0 
      0.61810360       0.61810360       0.34735347 1.0 
      0.62372758       0.62372758       0.36389411 1.0 
      0.62372758       0.62372758       0.36389411 1.0 
      0.61488989       0.61488989       0.37361596 1.0 
      0.60605221       0.60605221       0.38333781 1.0 
      0.59721453       0.59721453       0.39305966 1.0 
      0.58837684       0.58837684       0.40278151 1.0 
      0.57953916       0.57953916       0.41250336 1.0 
      0.57070147       0.57070147       0.42222521 1.0 
      0.56186379       0.56186379       0.43194706 1.0 
      0.55302611       0.55302611       0.44166890 1.0 
      0.54418842       0.54418842       0.45139075 1.0 
      0.53535074       0.53535074       0.46111260 1.0 
      0.52651305       0.52651305       0.47083445 1.0 
      0.51767537       0.51767537       0.48055630 1.0 
      0.50883768       0.50883768       0.49027815 1.0 
      0.50000000       0.50000000       0.50000000 1.0 
      0.50000000       0.50000000       0.50000000 1.0 
      0.51431097       0.48568903       0.50000000 1.0 
      0.52862195       0.47137805       0.50000000 1.0 
      0.54293292       0.45706708       0.50000000 1.0 
      0.55724389       0.44275611       0.50000000 1.0 
      0.57155487       0.42844513       0.50000000 1.0 
      0.58586584       0.41413416       0.50000000 1.0 
      0.60017681       0.39982319       0.50000000 1.0 
      0.61448778       0.38551222       0.50000000 1.0 
      0.62879876       0.37120124       0.50000000 1.0 
      0.64310973       0.35689027       0.50000000 1.0 
      0.65742070       0.34257930       0.50000000 1.0 
      0.67173168       0.32826832       0.50000000 1.0 
      0.32826832      -0.32826832       0.50000000 1.0 
      0.31334704      -0.31334704       0.50000000 1.0 
      0.29842575      -0.29842575       0.50000000 1.0 
      0.28350446      -0.28350446       0.50000000 1.0 
      0.26858317      -0.26858317       0.50000000 1.0 
      0.25366189      -0.25366189       0.50000000 1.0 
      0.23874060      -0.23874060       0.50000000 1.0 
      0.22381931      -0.22381931       0.50000000 1.0 
      0.20889802      -0.20889802       0.50000000 1.0 
      0.19397674      -0.19397674       0.50000000 1.0 
      0.17905545      -0.17905545       0.50000000 1.0 
      0.16413416      -0.16413416       0.50000000 1.0 
      0.14921287      -0.14921287       0.50000000 1.0 
      0.13429159      -0.13429159       0.50000000 1.0 
      0.11937030      -0.11937030       0.50000000 1.0 
      0.10444901      -0.10444901       0.50000000 1.0 
      0.08952772      -0.08952772       0.50000000 1.0 
      0.07460644      -0.07460644       0.50000000 1.0 
      0.05968515      -0.05968515       0.50000000 1.0 
      0.04476386      -0.04476386       0.50000000 1.0 
      0.02984257      -0.02984257       0.50000000 1.0 
      0.01492129      -0.01492129       0.50000000 1.0 
      0.00000000       0.00000000       0.50000000 1.0 
      0.00000000       0.00000000       0.50000000 1.0 
      0.01567802       0.01567802       0.50567108 1.0 
      0.03135604       0.03135604       0.51134216 1.0 
      0.04703405       0.04703405       0.51701324 1.0 
      0.06271207       0.06271207       0.52268431 1.0 
      0.07839009       0.07839009       0.52835539 1.0 
      0.09406811       0.09406811       0.53402647 1.0 
      0.10974612       0.10974612       0.53969755 1.0 
      0.12542414       0.12542414       0.54536863 1.0 
      0.14110216       0.14110216       0.55103971 1.0 
      0.15678018       0.15678018       0.55671079 1.0 
      0.17245819       0.17245819       0.56238187 1.0 
      0.18813621       0.18813621       0.56805294 1.0 
      0.20381423       0.20381423       0.57372402 1.0 
      0.21949225       0.21949225       0.57939510 1.0 
      0.23517026       0.23517026       0.58506618 1.0 
      0.25084828       0.25084828       0.59073726 1.0 
      0.26652630       0.26652630       0.59640834 1.0 
      0.28220432       0.28220432       0.60207942 1.0 
      0.29788233       0.29788233       0.60775050 1.0 
      0.31356035       0.31356035       0.61342157 1.0 
      0.32923837       0.32923837       0.61909265 1.0 
      0.34491639       0.34491639       0.62476373 1.0 
      0.36059440       0.36059440       0.63043481 1.0 
      0.37627242       0.37627242       0.63610589 1.0 
      0.50000000       0.50000000       0.00000000 1.0 
      0.50539645       0.49460355       0.00000000 1.0 
      0.49460355      -0.49460355       0.00000000 1.0 
      0.47961557      -0.47961557       0.00000000 1.0 
      0.46462758      -0.46462758       0.00000000 1.0 
      0.44963959      -0.44963959       0.00000000 1.0 
      0.43465161      -0.43465161       0.00000000 1.0 
      0.41966362      -0.41966362       0.00000000 1.0 
      0.40467563      -0.40467563       0.00000000 1.0 
      0.38968765      -0.38968765       0.00000000 1.0 
      0.37469966      -0.37469966       0.00000000 1.0 
      0.35971168      -0.35971168       0.00000000 1.0 
      0.34472369      -0.34472369       0.00000000 1.0 
      0.32973570      -0.32973570       0.00000000 1.0 
      0.31474772      -0.31474772       0.00000000 1.0 
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      0.22481980      -0.22481980       0.00000000 1.0 
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      0.13489188      -0.13489188       0.00000000 1.0 
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      0.10491591      -0.10491591       0.00000000 1.0 
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      0.00000000       0.00000000       0.00000000 1.0 
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      0.02083333      -0.00000000       0.00000000 1.0 
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      0.06250000       0.00000000       0.00000000 1.0 
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      0.12500000       0.00000000       0.00000000 1.0 
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      0.16666667      -0.00000000       0.00000000 1.0 
      0.18750000       0.00000000       0.00000000 1.0 
      0.20833333       0.00000000      -0.00000000 1.0 
      0.22916667      -0.00000000      -0.00000000 1.0 
      0.25000000       0.00000000       0.00000000 1.0 
      0.27083333       0.00000000       0.00000000 1.0 
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      0.31250000      -0.00000000       0.00000000 1.0 
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      0.45833333      -0.00000000      -0.00000000 1.0 
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      0.50000000       0.00000000       0.00000000 1.0 
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      0.48571429      -0.00000000       0.48571429 1.0 
      0.47142857       0.00000000       0.47142857 1.0 
      0.45714286       0.00000000       0.45714286 1.0 
      0.44285714      -0.00000000       0.44285714 1.0 
      0.42857143       0.00000000       0.42857143 1.0 
      0.41428571      -0.00000000       0.41428571 1.0 
      0.40000000       0.00000000       0.40000000 1.0 
      0.38571429      -0.00000000       0.38571429 1.0 
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      0.34285714      -0.00000000       0.34285714 1.0 
      0.32857143       0.00000000       0.32857143 1.0 
      0.31428571      -0.00000000       0.31428571 1.0 
      0.30000000      -0.00000000       0.30000000 1.0 
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      0.24285714      -0.00000000       0.24285714 1.0 
      0.22857143       0.00000000       0.22857143 1.0 
      0.21428571       0.00000000       0.21428571 1.0 
      0.20000000       0.00000000       0.20000000 1.0 
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      0.14285714       0.00000000       0.14285714 1.0 
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      0.10000000      -0.00000000       0.10000000 1.0 
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      0.00000000       0.00000000       0.00000000 1.0 

