! Pwscf input file created with ciftopw.py 
! Compound: BaAs2
&control
         calculation     = 'bands'
         prefix          = 'BaAs2'
         restart_mode    = 'from_scratch'
         outdir          = './'
         wf_collect      = .true.
         verbosity       = 'high'
       /
&system
         ibrav           =  14
         celldm(1)       =           23.6820460941479993
         celldm(2)       =            0.5226859240344718
         celldm(3)       =            0.6413980210660709
         celldm(4)       =            0.6121758787859850
         celldm(5)       =            0.0000000000000001
         celldm(6)       =            0.0000000000000001
         nat             =       18
         ntyp            =        2
         ecutwfc         =       38.00000000
         ecutrho         =      193.00000000
         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
Ba 137.3270 Ba.rel-pbe-spn-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
196
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      0.00000000       0.00000000       0.02000000 1.0 
      0.00000000       0.00000000       0.04000000 1.0 
      0.00000000       0.00000000       0.06000000 1.0 
      0.00000000       0.00000000       0.08000000 1.0 
      0.00000000       0.00000000       0.10000000 1.0 
      0.00000000       0.00000000       0.12000000 1.0 
      0.00000000       0.00000000       0.14000000 1.0 
      0.00000000       0.00000000       0.16000000 1.0 
      0.00000000       0.00000000       0.18000000 1.0 
      0.00000000       0.00000000       0.20000000 1.0 
      0.00000000       0.00000000       0.22000000 1.0 
      0.00000000       0.00000000       0.24000000 1.0 
      0.00000000       0.00000000       0.26000000 1.0 
      0.00000000       0.00000000       0.28000000 1.0 
      0.00000000       0.00000000       0.30000000 1.0 
      0.00000000       0.00000000       0.32000000 1.0 
      0.00000000       0.00000000       0.34000000 1.0 
      0.00000000       0.00000000       0.36000000 1.0 
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      0.00000000       0.00000000       0.40000000 1.0 
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      0.00000000       0.00000000       0.44000000 1.0 
      0.00000000       0.00000000       0.46000000 1.0 
      0.00000000       0.00000000       0.48000000 1.0 
      0.00000000       0.00000000       0.50000000 1.0 
      0.00000000       0.00000000       0.50000000 1.0 
      0.00000000       0.02003739       0.51505235 1.0 
      0.00000000       0.04007478       0.53010469 1.0 
      0.00000000       0.06011217       0.54515704 1.0 
      0.00000000       0.08014956       0.56020938 1.0 
      0.00000000       0.10018695       0.57526173 1.0 
      0.00000000       0.12022435       0.59031408 1.0 
      0.00000000       0.14026174       0.60536642 1.0 
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      0.00000000       0.18033652       0.63547111 1.0 
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      0.00000000       0.22041130       0.66557581 1.0 
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      0.00000000       0.30056086       0.72578519 1.0 
      0.00000000       0.32059825       0.74083754 1.0 
      0.00000000       0.34063564       0.75588988 1.0 
      0.00000000       0.36067304       0.77094223 1.0 
      0.00000000       0.38071043       0.78599457 1.0 
      0.00000000       0.40074782       0.80104692 1.0 
      0.00000000       0.40074782       0.80104692 1.0 
      0.00000000       0.40571043       0.78599457 1.0 
      0.00000000       0.41067304       0.77094223 1.0 
      0.00000000       0.41563564       0.75588988 1.0 
      0.00000000       0.42059825       0.74083754 1.0 
      0.00000000       0.42556086       0.72578519 1.0 
      0.00000000       0.43052347       0.71073284 1.0 
      0.00000000       0.43548608       0.69568050 1.0 
      0.00000000       0.44044869       0.68062815 1.0 
      0.00000000       0.44541130       0.66557581 1.0 
      0.00000000       0.45037391       0.65052346 1.0 
      0.00000000       0.45533652       0.63547111 1.0 
      0.00000000       0.46029913       0.62041877 1.0 
      0.00000000       0.46526174       0.60536642 1.0 
      0.00000000       0.47022435       0.59031408 1.0 
      0.00000000       0.47518695       0.57526173 1.0 
      0.00000000       0.48014956       0.56020938 1.0 
      0.00000000       0.48511217       0.54515704 1.0 
      0.00000000       0.49007478       0.53010469 1.0 
      0.00000000       0.49503739       0.51505235 1.0 
      0.00000000       0.50000000       0.50000000 1.0 
      0.00000000       0.50000000       0.50000000 1.0 
      0.03846154       0.50000000       0.50000000 1.0 
      0.07692308       0.50000000       0.50000000 1.0 
      0.11538462       0.50000000       0.50000000 1.0 
      0.15384615       0.50000000       0.50000000 1.0 
      0.19230769       0.50000000       0.50000000 1.0 
      0.23076923       0.50000000       0.50000000 1.0 
      0.26923077       0.50000000       0.50000000 1.0 
      0.30769231       0.50000000       0.50000000 1.0 
      0.34615385       0.50000000       0.50000000 1.0 
      0.38461538       0.50000000       0.50000000 1.0 
      0.42307692       0.50000000       0.50000000 1.0 
      0.46153846       0.50000000       0.50000000 1.0 
      0.50000000       0.50000000       0.50000000 1.0 
      0.50000000       0.50000000       0.50000000 1.0 
      0.50000000       0.50496261       0.48494765 1.0 
      0.50000000       0.50992522       0.46989531 1.0 
      0.50000000       0.51488783       0.45484296 1.0 
      0.50000000       0.51985044       0.43979062 1.0 
      0.50000000       0.52481305       0.42473827 1.0 
      0.50000000       0.52977565       0.40968592 1.0 
      0.50000000       0.53473826       0.39463358 1.0 
      0.50000000       0.53970087       0.37958123 1.0 
      0.50000000       0.54466348       0.36452889 1.0 
      0.50000000       0.54962609       0.34947654 1.0 
      0.50000000       0.55458870       0.33442419 1.0 
      0.50000000       0.55955131       0.31937185 1.0 
      0.50000000       0.56451392       0.30431950 1.0 
      0.50000000       0.56947653       0.28926716 1.0 
      0.50000000       0.57443914       0.27421481 1.0 
      0.50000000       0.57940175       0.25916246 1.0 
      0.50000000       0.58436436       0.24411012 1.0 
      0.50000000       0.58932696       0.22905777 1.0 
      0.50000000       0.59428957       0.21400543 1.0 
      0.50000000       0.59925218       0.19895308 1.0 
      0.50000000       0.59925218       0.19895308 1.0 
      0.50000000       0.58684566       0.17408394 1.0 
      0.50000000       0.57443914       0.14921481 1.0 
      0.50000000       0.56203261       0.12434567 1.0 
      0.50000000       0.54962609       0.09947654 1.0 
      0.50000000       0.53721957       0.07460740 1.0 
      0.50000000       0.52481305       0.04973827 1.0 
      0.50000000       0.51240652       0.02486913 1.0 
      0.50000000       0.50000000       0.00000000 1.0 
      0.50000000       0.50000000       0.00000000 1.0 
      0.46153846       0.50000000       0.00000000 1.0 
      0.42307692       0.50000000       0.00000000 1.0 
      0.38461538       0.50000000       0.00000000 1.0 
      0.34615385       0.50000000       0.00000000 1.0 
      0.30769231       0.50000000       0.00000000 1.0 
      0.26923077       0.50000000       0.00000000 1.0 
      0.23076923       0.50000000       0.00000000 1.0 
      0.19230769       0.50000000       0.00000000 1.0 
      0.15384615       0.50000000       0.00000000 1.0 
      0.11538462       0.50000000       0.00000000 1.0 
      0.07692308       0.50000000       0.00000000 1.0 
      0.03846154       0.50000000       0.00000000 1.0 
      0.00000000       0.50000000       0.00000000 1.0 
      0.00000000       0.50000000       0.00000000 1.0 
      0.00000000       0.51240652       0.02486913 1.0 
      0.00000000       0.52481305       0.04973827 1.0 
      0.00000000       0.53721957       0.07460740 1.0 
      0.00000000       0.54962609       0.09947654 1.0 
      0.00000000       0.56203261       0.12434567 1.0 
      0.00000000       0.57443914       0.14921481 1.0 
      0.00000000       0.58684566       0.17408394 1.0 
      0.00000000       0.59925218       0.19895308 1.0 
      0.50000000       0.40074782       0.80104692 1.0 
      0.50000000       0.38071043       0.78599457 1.0 
      0.50000000       0.36067304       0.77094223 1.0 
      0.50000000       0.34063564       0.75588988 1.0 
      0.50000000       0.32059825       0.74083754 1.0 
      0.50000000       0.30056086       0.72578519 1.0 
      0.50000000       0.28052347       0.71073284 1.0 
      0.50000000       0.26048608       0.69568050 1.0 
      0.50000000       0.24044869       0.68062815 1.0 
      0.50000000       0.22041130       0.66557581 1.0 
      0.50000000       0.20037391       0.65052346 1.0 
      0.50000000       0.18033652       0.63547111 1.0 
      0.50000000       0.16029913       0.62041877 1.0 
      0.50000000       0.14026174       0.60536642 1.0 
      0.50000000       0.12022435       0.59031408 1.0 
      0.50000000       0.10018695       0.57526173 1.0 
      0.50000000       0.08014956       0.56020938 1.0 
      0.50000000       0.06011217       0.54515704 1.0 
      0.50000000       0.04007478       0.53010469 1.0 
      0.50000000       0.02003739       0.51505235 1.0 
      0.50000000       0.00000000       0.50000000 1.0 
      0.50000000       0.00000000       0.50000000 1.0 
      0.50000000       0.00000000       0.48000000 1.0 
      0.50000000       0.00000000       0.46000000 1.0 
      0.50000000       0.00000000       0.44000000 1.0 
      0.50000000       0.00000000       0.42000000 1.0 
      0.50000000       0.00000000       0.40000000 1.0 
      0.50000000       0.00000000       0.38000000 1.0 
      0.50000000       0.00000000       0.36000000 1.0 
      0.50000000       0.00000000       0.34000000 1.0 
      0.50000000       0.00000000       0.32000000 1.0 
      0.50000000       0.00000000       0.30000000 1.0 
      0.50000000       0.00000000       0.28000000 1.0 
      0.50000000       0.00000000       0.26000000 1.0 
      0.50000000       0.00000000       0.24000000 1.0 
      0.50000000       0.00000000       0.22000000 1.0 
      0.50000000       0.00000000       0.20000000 1.0 
      0.50000000       0.00000000       0.18000000 1.0 
      0.50000000       0.00000000       0.16000000 1.0 
      0.50000000       0.00000000       0.14000000 1.0 
      0.50000000       0.00000000       0.12000000 1.0 
      0.50000000       0.00000000       0.10000000 1.0 
      0.50000000       0.00000000       0.08000000 1.0 
      0.50000000       0.00000000       0.06000000 1.0 
      0.50000000       0.00000000       0.04000000 1.0 
      0.50000000       0.00000000       0.02000000 1.0 
      0.50000000       0.00000000       0.00000000 1.0 
      0.00000000       0.00000000       0.50000000 1.0 
      0.03846154       0.00000000       0.50000000 1.0 
      0.07692308       0.00000000       0.50000000 1.0 
      0.11538462       0.00000000       0.50000000 1.0 
      0.15384615       0.00000000       0.50000000 1.0 
      0.19230769       0.00000000       0.50000000 1.0 
      0.23076923       0.00000000       0.50000000 1.0 
      0.26923077       0.00000000       0.50000000 1.0 
      0.30769231       0.00000000       0.50000000 1.0 
      0.34615385       0.00000000       0.50000000 1.0 
      0.38461538       0.00000000       0.50000000 1.0 
      0.42307692       0.00000000       0.50000000 1.0 
      0.46153846       0.00000000       0.50000000 1.0 
      0.50000000       0.00000000       0.50000000 1.0 

