! Pwscf input file created with ciftopw.py 
! Compound: As2O3
&control
         calculation     = 'bands'
         prefix          = 'As2O3'
         restart_mode    = 'from_scratch'
         outdir          = './'
         wf_collect      = .true.
         verbosity       = 'high'
       /
&system
         ibrav           =  14
         celldm(1)       =            8.6392603039112998
         celldm(2)       =            1.7527615547826847
         celldm(3)       =            2.3695294272072660
         celldm(4)       =            0.5671868712076921
         celldm(5)       =            0.0000000000000001
         celldm(6)       =            0.0000000000000001
         nat             =       20
         ntyp            =        2
         ecutwfc         =       47.00000000
         ecutrho         =      324.00000000
         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 
ATOMIC_POSITIONS crystal
K_POINTS crystal
224
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      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 
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      0.00000000       0.02516879       0.51929869 1.0 
      0.00000000       0.05033759       0.53859738 1.0 
      0.00000000       0.07550638       0.55789607 1.0 
      0.00000000       0.10067517       0.57719476 1.0 
      0.00000000       0.12584397       0.59649345 1.0 
      0.00000000       0.15101276       0.61579214 1.0 
      0.00000000       0.17618155       0.63509083 1.0 
      0.00000000       0.20135035       0.65438952 1.0 
      0.00000000       0.22651914       0.67368821 1.0 
      0.00000000       0.25168793       0.69298690 1.0 
      0.00000000       0.27685672       0.71228559 1.0 
      0.00000000       0.30202552       0.73158428 1.0 
      0.00000000       0.32719431       0.75088297 1.0 
      0.00000000       0.35236310       0.77018166 1.0 
      0.00000000       0.37753190       0.78948035 1.0 
      0.00000000       0.40270069       0.80877904 1.0 
      0.00000000       0.42786948       0.82807773 1.0 
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      0.00000000       0.43302166       0.80464361 1.0 
      0.00000000       0.43817384       0.78120948 1.0 
      0.00000000       0.44332602       0.75777536 1.0 
      0.00000000       0.44847820       0.73434124 1.0 
      0.00000000       0.45363038       0.71090711 1.0 
      0.00000000       0.45878256       0.68747299 1.0 
      0.00000000       0.46393474       0.66403886 1.0 
      0.00000000       0.46908692       0.64060474 1.0 
      0.00000000       0.47423910       0.61717062 1.0 
      0.00000000       0.47939128       0.59373649 1.0 
      0.00000000       0.48454346       0.57030237 1.0 
      0.00000000       0.48969564       0.54686825 1.0 
      0.00000000       0.49484782       0.52343412 1.0 
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      0.10000000       0.50000000       0.50000000 1.0 
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      0.15714286       0.50000000       0.50000000 1.0 
      0.17142857       0.50000000       0.50000000 1.0 
      0.18571429       0.50000000       0.50000000 1.0 
      0.20000000       0.50000000       0.50000000 1.0 
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      0.22857143       0.50000000       0.50000000 1.0 
      0.24285714       0.50000000       0.50000000 1.0 
      0.25714286       0.50000000       0.50000000 1.0 
      0.27142857       0.50000000       0.50000000 1.0 
      0.28571429       0.50000000       0.50000000 1.0 
      0.30000000       0.50000000       0.50000000 1.0 
      0.31428571       0.50000000       0.50000000 1.0 
      0.32857143       0.50000000       0.50000000 1.0 
      0.34285714       0.50000000       0.50000000 1.0 
      0.35714286       0.50000000       0.50000000 1.0 
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      0.40000000       0.50000000       0.50000000 1.0 
      0.41428571       0.50000000       0.50000000 1.0 
      0.42857143       0.50000000       0.50000000 1.0 
      0.44285714       0.50000000       0.50000000 1.0 
      0.45714286       0.50000000       0.50000000 1.0 
      0.47142857       0.50000000       0.50000000 1.0 
      0.48571429       0.50000000       0.50000000 1.0 
      0.50000000       0.50000000       0.50000000 1.0 
      0.50000000       0.50000000       0.50000000 1.0 
      0.50000000       0.50515218       0.47656588 1.0 
      0.50000000       0.51030436       0.45313175 1.0 
      0.50000000       0.51545654       0.42969763 1.0 
      0.50000000       0.52060872       0.40626351 1.0 
      0.50000000       0.52576090       0.38282938 1.0 
      0.50000000       0.53091308       0.35939526 1.0 
      0.50000000       0.53606526       0.33596114 1.0 
      0.50000000       0.54121744       0.31252701 1.0 
      0.50000000       0.54636962       0.28909289 1.0 
      0.50000000       0.55152180       0.26565876 1.0 
      0.50000000       0.55667398       0.24222464 1.0 
      0.50000000       0.56182616       0.21879052 1.0 
      0.50000000       0.56697834       0.19535639 1.0 
      0.50000000       0.57213052       0.17192227 1.0 
      0.50000000       0.57213052       0.17192227 1.0 
      0.50000000       0.55770441       0.13753782 1.0 
      0.50000000       0.54327831       0.10315336 1.0 
      0.50000000       0.52885221       0.06876891 1.0 
      0.50000000       0.51442610       0.03438445 1.0 
      0.50000000       0.50000000       0.00000000 1.0 
      0.50000000       0.50000000       0.00000000 1.0 
      0.48571429       0.50000000       0.00000000 1.0 
      0.47142857       0.50000000       0.00000000 1.0 
      0.45714286       0.50000000       0.00000000 1.0 
      0.44285714       0.50000000       0.00000000 1.0 
      0.42857143       0.50000000       0.00000000 1.0 
      0.41428571       0.50000000       0.00000000 1.0 
      0.40000000       0.50000000       0.00000000 1.0 
      0.38571429       0.50000000       0.00000000 1.0 
      0.37142857       0.50000000       0.00000000 1.0 
      0.35714286       0.50000000       0.00000000 1.0 
      0.34285714       0.50000000       0.00000000 1.0 
      0.32857143       0.50000000       0.00000000 1.0 
      0.31428571       0.50000000       0.00000000 1.0 
      0.30000000       0.50000000       0.00000000 1.0 
      0.28571429       0.50000000       0.00000000 1.0 
      0.27142857       0.50000000       0.00000000 1.0 
      0.25714286       0.50000000       0.00000000 1.0 
      0.24285714       0.50000000       0.00000000 1.0 
      0.22857143       0.50000000       0.00000000 1.0 
      0.21428571       0.50000000       0.00000000 1.0 
      0.20000000       0.50000000       0.00000000 1.0 
      0.18571429       0.50000000       0.00000000 1.0 
      0.17142857       0.50000000       0.00000000 1.0 
      0.15714286       0.50000000       0.00000000 1.0 
      0.14285714       0.50000000       0.00000000 1.0 
      0.12857143       0.50000000       0.00000000 1.0 
      0.11428571       0.50000000       0.00000000 1.0 
      0.10000000       0.50000000       0.00000000 1.0 
      0.08571429       0.50000000       0.00000000 1.0 
      0.07142857       0.50000000       0.00000000 1.0 
      0.05714286       0.50000000       0.00000000 1.0 
      0.04285714       0.50000000       0.00000000 1.0 
      0.02857143       0.50000000       0.00000000 1.0 
      0.01428571       0.50000000       0.00000000 1.0 
      0.00000000       0.50000000       0.00000000 1.0 
      0.00000000       0.50000000       0.00000000 1.0 
      0.00000000       0.51442610       0.03438445 1.0 
      0.00000000       0.52885221       0.06876891 1.0 
      0.00000000       0.54327831       0.10315336 1.0 
      0.00000000       0.55770441       0.13753782 1.0 
      0.00000000       0.57213052       0.17192227 1.0 
      0.50000000       0.42786948       0.82807773 1.0 
      0.50000000       0.40270069       0.80877904 1.0 
      0.50000000       0.37753190       0.78948035 1.0 
      0.50000000       0.35236310       0.77018166 1.0 
      0.50000000       0.32719431       0.75088297 1.0 
      0.50000000       0.30202552       0.73158428 1.0 
      0.50000000       0.27685672       0.71228559 1.0 
      0.50000000       0.25168793       0.69298690 1.0 
      0.50000000       0.22651914       0.67368821 1.0 
      0.50000000       0.20135035       0.65438952 1.0 
      0.50000000       0.17618155       0.63509083 1.0 
      0.50000000       0.15101276       0.61579214 1.0 
      0.50000000       0.12584397       0.59649345 1.0 
      0.50000000       0.10067517       0.57719476 1.0 
      0.50000000       0.07550638       0.55789607 1.0 
      0.50000000       0.05033759       0.53859738 1.0 
      0.50000000       0.02516879       0.51929869 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 
      0.01428571       0.00000000       0.50000000 1.0 
      0.02857143       0.00000000       0.50000000 1.0 
      0.04285714       0.00000000       0.50000000 1.0 
      0.05714286       0.00000000       0.50000000 1.0 
      0.07142857       0.00000000       0.50000000 1.0 
      0.08571429       0.00000000       0.50000000 1.0 
      0.10000000       0.00000000       0.50000000 1.0 
      0.11428571       0.00000000       0.50000000 1.0 
      0.12857143       0.00000000       0.50000000 1.0 
      0.14285714       0.00000000       0.50000000 1.0 
      0.15714286       0.00000000       0.50000000 1.0 
      0.17142857       0.00000000       0.50000000 1.0 
      0.18571429       0.00000000       0.50000000 1.0 
      0.20000000       0.00000000       0.50000000 1.0 
      0.21428571       0.00000000       0.50000000 1.0 
      0.22857143       0.00000000       0.50000000 1.0 
      0.24285714       0.00000000       0.50000000 1.0 
      0.25714286       0.00000000       0.50000000 1.0 
      0.27142857       0.00000000       0.50000000 1.0 
      0.28571429       0.00000000       0.50000000 1.0 
      0.30000000       0.00000000       0.50000000 1.0 
      0.31428571       0.00000000       0.50000000 1.0 
      0.32857143       0.00000000       0.50000000 1.0 
      0.34285714       0.00000000       0.50000000 1.0 
      0.35714286       0.00000000       0.50000000 1.0 
      0.37142857       0.00000000       0.50000000 1.0 
      0.38571429       0.00000000       0.50000000 1.0 
      0.40000000       0.00000000       0.50000000 1.0 
      0.41428571       0.00000000       0.50000000 1.0 
      0.42857143       0.00000000       0.50000000 1.0 
      0.44285714       0.00000000       0.50000000 1.0 
      0.45714286       0.00000000       0.50000000 1.0 
      0.47142857       0.00000000       0.50000000 1.0 
      0.48571429       0.00000000       0.50000000 1.0 
      0.50000000       0.00000000       0.50000000 1.0 

