! Pwscf input file created with ciftopw.py 
! Compound: BaSi2CuO6
&control
         calculation     = 'bands'
         prefix          = 'BaSi2CuO6'
         restart_mode    = 'from_scratch'
         outdir          = './'
         wf_collect      = .true.
         verbosity       = 'high'
       /
&system
         ibrav           =  14
         celldm(1)       =           14.1345916795889526
         celldm(2)       =            1.0000000000000000
         celldm(3)       =            1.0000000000000000
         celldm(4)       =           -0.5555470950127477
         celldm(5)       =           -0.5555470950127477
         celldm(6)       =            0.1110941900254954
         nat             =       20
         ntyp            =        4
         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 
Ba 137.3270 Ba.rel-pbe-spn-rrkjus_psl.1.0.0.UPF 
Cu  63.5460 Cu.rel-pbe-dn-rrkjus_psl.1.0.0.UPF 
Si  28.0855 Si.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
ATOMIC_POSITIONS crystal
K_POINTS crystal
238
      0.00000000       0.00000000       0.00000000 1.0 
     -0.00000000      -0.00000000       0.01562500 1.0 
     -0.00000000      -0.00000000       0.03125000 1.0 
     -0.00000000      -0.00000000       0.04687500 1.0 
     -0.00000000      -0.00000000       0.06250000 1.0 
     -0.00000000      -0.00000000       0.07812500 1.0 
     -0.00000000      -0.00000000       0.09375000 1.0 
     -0.00000000      -0.00000000       0.10937500 1.0 
     -0.00000000      -0.00000000       0.12500000 1.0 
     -0.00000000      -0.00000000       0.14062500 1.0 
     -0.00000000      -0.00000000       0.15625000 1.0 
     -0.00000000      -0.00000000       0.17187500 1.0 
     -0.00000000      -0.00000000       0.18750000 1.0 
     -0.00000000      -0.00000000       0.20312500 1.0 
     -0.00000000      -0.00000000       0.21875000 1.0 
     -0.00000000      -0.00000000       0.23437500 1.0 
     -0.00000000      -0.00000000       0.25000000 1.0 
     -0.00000000      -0.00000000       0.26562500 1.0 
     -0.00000000      -0.00000000       0.28125000 1.0 
     -0.00000000      -0.00000000       0.29687500 1.0 
     -0.00000000      -0.00000000       0.31250000 1.0 
     -0.00000000      -0.00000000       0.32812500 1.0 
     -0.00000000      -0.00000000       0.34375000 1.0 
     -0.00000000      -0.00000000       0.35937500 1.0 
     -0.00000000      -0.00000000       0.37500000 1.0 
     -0.00000000      -0.00000000       0.39062500 1.0 
     -0.00000000      -0.00000000       0.40625000 1.0 
     -0.00000000      -0.00000000       0.42187500 1.0 
     -0.00000000      -0.00000000       0.43750000 1.0 
     -0.00000000      -0.00000000       0.45312500 1.0 
     -0.00000000      -0.00000000       0.46875000 1.0 
     -0.00000000      -0.00000000       0.48437500 1.0 
     -0.00000000      -0.00000000       0.50000000 1.0 
     -0.00000000      -0.00000000       0.50000000 1.0 
     -0.01538514       0.01538514       0.50000000 1.0 
     -0.03077029       0.03077029       0.50000000 1.0 
     -0.04615543       0.04615543       0.50000000 1.0 
     -0.06154057       0.06154057       0.50000000 1.0 
     -0.07692571       0.07692571       0.50000000 1.0 
     -0.09231086       0.09231086       0.50000000 1.0 
     -0.10769600       0.10769600       0.50000000 1.0 
     -0.12308114       0.12308114       0.50000000 1.0 
     -0.13846628       0.13846628       0.50000000 1.0 
     -0.15385143       0.15385143       0.50000000 1.0 
     -0.16923657       0.16923657       0.50000000 1.0 
     -0.18462171       0.18462171       0.50000000 1.0 
     -0.20000685       0.20000685       0.50000000 1.0 
     -0.20000685       0.20000685       0.50000000 1.0 
     -0.21072089       0.21072089       0.48928596 1.0 
     -0.22143494       0.22143494       0.47857192 1.0 
     -0.23214898       0.23214898       0.46785788 1.0 
     -0.24286302       0.24286302       0.45714384 1.0 
     -0.25357706       0.25357706       0.44642980 1.0 
     -0.26429110       0.26429110       0.43571575 1.0 
     -0.27500514       0.27500514       0.42500171 1.0 
     -0.28571918       0.28571918       0.41428767 1.0 
     -0.29643322       0.29643322       0.40357363 1.0 
     -0.30714726       0.30714726       0.39285959 1.0 
     -0.31786130       0.31786130       0.38214555 1.0 
     -0.32857534       0.32857534       0.37143151 1.0 
     -0.33928939       0.33928939       0.36071747 1.0 
     -0.35000343       0.35000343       0.35000343 1.0 
     -0.35000343       0.35000343       0.35000343 1.0 
     -0.33906582       0.33906582       0.33906582 1.0 
     -0.32812821       0.32812821       0.32812821 1.0 
     -0.31719061       0.31719061       0.31719061 1.0 
     -0.30625300       0.30625300       0.30625300 1.0 
     -0.29531539       0.29531539       0.29531539 1.0 
     -0.28437778       0.28437778       0.28437778 1.0 
     -0.27344018       0.27344018       0.27344018 1.0 
     -0.26250257       0.26250257       0.26250257 1.0 
     -0.25156496       0.25156496       0.25156496 1.0 
     -0.24062736       0.24062736       0.24062736 1.0 
     -0.22968975       0.22968975       0.22968975 1.0 
     -0.21875214       0.21875214       0.21875214 1.0 
     -0.20781453       0.20781453       0.20781453 1.0 
     -0.19687693       0.19687693       0.19687693 1.0 
     -0.18593932       0.18593932       0.18593932 1.0 
     -0.17500171       0.17500171       0.17500171 1.0 
     -0.16406411       0.16406411       0.16406411 1.0 
     -0.15312650       0.15312650       0.15312650 1.0 
     -0.14218889       0.14218889       0.14218889 1.0 
     -0.13125128       0.13125128       0.13125128 1.0 
     -0.12031368       0.12031368       0.12031368 1.0 
     -0.10937607       0.10937607       0.10937607 1.0 
     -0.09843846       0.09843846       0.09843846 1.0 
     -0.08750086       0.08750086       0.08750086 1.0 
     -0.07656325       0.07656325       0.07656325 1.0 
     -0.06562564       0.06562564       0.06562564 1.0 
     -0.05468804       0.05468804       0.05468804 1.0 
     -0.04375043       0.04375043       0.04375043 1.0 
     -0.03281282       0.03281282       0.03281282 1.0 
     -0.02187521       0.02187521       0.02187521 1.0 
     -0.01093761       0.01093761       0.01093761 1.0 
      0.00000000       0.00000000       0.00000000 1.0 
      0.00000000       0.00000000       0.00000000 1.0 
      0.01724138       0.01724138      -0.01724138 1.0 
      0.03448276       0.03448276      -0.03448276 1.0 
      0.05172414       0.05172414      -0.05172414 1.0 
      0.06896552       0.06896552      -0.06896552 1.0 
      0.08620690       0.08620690      -0.08620690 1.0 
      0.10344828       0.10344828      -0.10344828 1.0 
      0.12068966       0.12068966      -0.12068966 1.0 
      0.13793103       0.13793103      -0.13793103 1.0 
      0.15517241       0.15517241      -0.15517241 1.0 
      0.17241379       0.17241379      -0.17241379 1.0 
      0.18965517       0.18965517      -0.18965517 1.0 
      0.20689655       0.20689655      -0.20689655 1.0 
      0.22413793       0.22413793      -0.22413793 1.0 
      0.24137931       0.24137931      -0.24137931 1.0 
      0.25862069       0.25862069      -0.25862069 1.0 
      0.27586207       0.27586207      -0.27586207 1.0 
      0.29310345       0.29310345      -0.29310345 1.0 
      0.31034483       0.31034483      -0.31034483 1.0 
      0.32758621       0.32758621      -0.32758621 1.0 
      0.34482759       0.34482759      -0.34482759 1.0 
      0.36206897       0.36206897      -0.36206897 1.0 
      0.37931034       0.37931034      -0.37931034 1.0 
      0.39655172       0.39655172      -0.39655172 1.0 
      0.41379310       0.41379310      -0.41379310 1.0 
      0.43103448       0.43103448      -0.43103448 1.0 
      0.44827586       0.44827586      -0.44827586 1.0 
      0.46551724       0.46551724      -0.46551724 1.0 
      0.48275862       0.48275862      -0.48275862 1.0 
      0.50000000       0.50000000      -0.50000000 1.0 
      0.50000000       0.50000000      -0.50000000 1.0 
      0.48928596       0.51071404      -0.48928596 1.0 
      0.47857192       0.52142808      -0.47857192 1.0 
      0.46785788       0.53214212      -0.46785788 1.0 
      0.45714384       0.54285616      -0.45714384 1.0 
      0.44642980       0.55357020      -0.44642980 1.0 
      0.43571575       0.56428425      -0.43571575 1.0 
      0.42500171       0.57499829      -0.42500171 1.0 
      0.41428767       0.58571233      -0.41428767 1.0 
      0.40357363       0.59642637      -0.40357363 1.0 
      0.39285959       0.60714041      -0.39285959 1.0 
      0.38214555       0.61785445      -0.38214555 1.0 
      0.37143151       0.62856849      -0.37143151 1.0 
      0.36071747       0.63928253      -0.36071747 1.0 
      0.35000343       0.64999657      -0.35000343 1.0 
      0.35000343       0.64999657      -0.35000343 1.0 
      0.32941499       0.64117325      -0.32941499 1.0 
      0.30882655       0.63234992      -0.30882655 1.0 
      0.28823812       0.62352659      -0.28823812 1.0 
      0.26764968       0.61470326      -0.26764968 1.0 
      0.24706124       0.60587993      -0.24706124 1.0 
      0.22647281       0.59705661      -0.22647281 1.0 
      0.20588437       0.58823328      -0.20588437 1.0 
      0.18529593       0.57940995      -0.18529593 1.0 
      0.16470749       0.57058662      -0.16470749 1.0 
      0.14411906       0.56176329      -0.14411906 1.0 
      0.12353062       0.55293997      -0.12353062 1.0 
      0.10294218       0.54411664      -0.10294218 1.0 
      0.08235375       0.53529331      -0.08235375 1.0 
      0.06176531       0.52646998      -0.06176531 1.0 
      0.04117687       0.51764666      -0.04117687 1.0 
      0.02058844       0.50882333      -0.02058844 1.0 
      0.00000000       0.50000000      -0.00000000 1.0 
      0.00000000       0.50000000      -0.00000000 1.0 
      0.01086957       0.48913043       0.01086957 1.0 
      0.02173913       0.47826087       0.02173913 1.0 
      0.03260870       0.46739130       0.03260870 1.0 
      0.04347826       0.45652174       0.04347826 1.0 
      0.05434783       0.44565217       0.05434783 1.0 
      0.06521739       0.43478261       0.06521739 1.0 
      0.07608696       0.42391304       0.07608696 1.0 
      0.08695652       0.41304348       0.08695652 1.0 
      0.09782609       0.40217391       0.09782609 1.0 
      0.10869565       0.39130435       0.10869565 1.0 
      0.11956522       0.38043478       0.11956522 1.0 
      0.13043478       0.36956522       0.13043478 1.0 
      0.14130435       0.35869565       0.14130435 1.0 
      0.15217391       0.34782609       0.15217391 1.0 
      0.16304348       0.33695652       0.16304348 1.0 
      0.17391304       0.32608696       0.17391304 1.0 
      0.18478261       0.31521739       0.18478261 1.0 
      0.19565217       0.30434783       0.19565217 1.0 
      0.20652174       0.29347826       0.20652174 1.0 
      0.21739130       0.28260870       0.21739130 1.0 
      0.22826087       0.27173913       0.22826087 1.0 
      0.23913043       0.26086957       0.23913043 1.0 
      0.25000000       0.25000000       0.25000000 1.0 
      0.25000000       0.25000000       0.25000000 1.0 
      0.26315789       0.26315789       0.22631543 1.0 
      0.27631579       0.27631579       0.20263086 1.0 
      0.28947368       0.28947368       0.17894629 1.0 
      0.30263158       0.30263158       0.15526172 1.0 
      0.31578947       0.31578947       0.13157714 1.0 
      0.32894737       0.32894737       0.10789257 1.0 
      0.34210526       0.34210526       0.08420800 1.0 
      0.35526316       0.35526316       0.06052343 1.0 
      0.36842105       0.36842105       0.03683886 1.0 
      0.38157895       0.38157895       0.01315429 1.0 
      0.39473684       0.39473684      -0.01053028 1.0 
      0.40789474       0.40789474      -0.03421485 1.0 
      0.42105263       0.42105263      -0.05789943 1.0 
      0.43421053       0.43421053      -0.08158400 1.0 
      0.44736842       0.44736842      -0.10526857 1.0 
      0.46052632       0.46052632      -0.12895314 1.0 
      0.47368421       0.47368421      -0.15263771 1.0 
      0.48684211       0.48684211      -0.17632228 1.0 
      0.50000000       0.50000000      -0.20000685 1.0 
      0.50000000       0.50000000      -0.20000685 1.0 
      0.50000000       0.50000000      -0.21579597 1.0 
      0.50000000       0.50000000      -0.23158508 1.0 
      0.50000000       0.50000000      -0.24737419 1.0 
      0.50000000       0.50000000      -0.26316331 1.0 
      0.50000000       0.50000000      -0.27895242 1.0 
      0.50000000       0.50000000      -0.29474153 1.0 
      0.50000000       0.50000000      -0.31053064 1.0 
      0.50000000       0.50000000      -0.32631976 1.0 
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      0.50000000       0.50000000      -0.35789798 1.0 
      0.50000000       0.50000000      -0.37368710 1.0 
      0.50000000       0.50000000      -0.38947621 1.0 
      0.50000000       0.50000000      -0.40526532 1.0 
      0.50000000       0.50000000      -0.42105444 1.0 
      0.50000000       0.50000000      -0.43684355 1.0 
      0.50000000       0.50000000      -0.45263266 1.0 
      0.50000000       0.50000000      -0.46842177 1.0 
      0.50000000       0.50000000      -0.48421089 1.0 
      0.50000000       0.50000000      -0.50000000 1.0 
     -0.00000000      -0.00000000       0.50000000 1.0 
      0.01666667       0.01666667       0.48333333 1.0 
      0.03333333       0.03333333       0.46666667 1.0 
      0.05000000       0.05000000       0.45000000 1.0 
      0.06666667       0.06666667       0.43333333 1.0 
      0.08333333       0.08333333       0.41666667 1.0 
      0.10000000       0.10000000       0.40000000 1.0 
      0.11666667       0.11666667       0.38333333 1.0 
      0.13333333       0.13333333       0.36666667 1.0 
      0.15000000       0.15000000       0.35000000 1.0 
      0.16666667       0.16666667       0.33333333 1.0 
      0.18333333       0.18333333       0.31666667 1.0 
      0.20000000       0.20000000       0.30000000 1.0 
      0.21666667       0.21666667       0.28333333 1.0 
      0.23333333       0.23333333       0.26666667 1.0 
      0.25000000       0.25000000       0.25000000 1.0 

