! Pwscf input file created with ciftopw.py 
! Compound: BaAl4
&control
         calculation     = 'bands'
         prefix          = 'BaAl4'
         restart_mode    = 'from_scratch'
         outdir          = './'
         wf_collect      = .true.
         verbosity       = 'high'
       /
&system
         ibrav           =  14
         celldm(1)       =           12.1645612599288846
         celldm(2)       =            1.0000000000000000
         celldm(3)       =            1.0000000000000000
         celldm(4)       =           -0.7514034244283652
         celldm(5)       =           -0.7514034244283652
         celldm(6)       =            0.5028068488567302
         nat             =        5
         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 
Al  26.9815 Al.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
ATOMIC_POSITIONS crystal
K_POINTS crystal
321
      0.00000000       0.00000000       0.00000000 1.0 
      0.00000000      -0.00000000       0.01020408 1.0 
      0.00000000      -0.00000000       0.02040816 1.0 
      0.00000000      -0.00000000       0.03061224 1.0 
      0.00000000      -0.00000000       0.04081633 1.0 
      0.00000000      -0.00000000       0.05102041 1.0 
      0.00000000      -0.00000000       0.06122449 1.0 
      0.00000000      -0.00000000       0.07142857 1.0 
      0.00000000      -0.00000000       0.08163265 1.0 
      0.00000000       0.00000000       0.09183673 1.0 
      0.00000000      -0.00000000       0.10204082 1.0 
      0.00000000      -0.00000000       0.11224490 1.0 
      0.00000000      -0.00000000       0.12244898 1.0 
      0.00000000       0.00000000       0.13265306 1.0 
      0.00000000      -0.00000000       0.14285714 1.0 
      0.00000000       0.00000000       0.15306122 1.0 
      0.00000000      -0.00000000       0.16326531 1.0 
      0.00000000       0.00000000       0.17346939 1.0 
      0.00000000       0.00000000       0.18367347 1.0 
      0.00000000      -0.00000000       0.19387755 1.0 
      0.00000000      -0.00000000       0.20408163 1.0 
      0.00000000      -0.00000000       0.21428571 1.0 
      0.00000000      -0.00000000       0.22448980 1.0 
      0.00000000      -0.00000000       0.23469388 1.0 
      0.00000000      -0.00000000       0.24489796 1.0 
      0.00000000       0.00000000       0.25510204 1.0 
      0.00000000       0.00000000       0.26530612 1.0 
      0.00000000      -0.00000000       0.27551020 1.0 
      0.00000000      -0.00000000       0.28571429 1.0 
      0.00000000      -0.00000000       0.29591837 1.0 
      0.00000000       0.00000000       0.30612245 1.0 
      0.00000000       0.00000000       0.31632653 1.0 
      0.00000000      -0.00000000       0.32653061 1.0 
      0.00000000       0.00000000       0.33673469 1.0 
      0.00000000       0.00000000       0.34693878 1.0 
      0.00000000       0.00000000       0.35714286 1.0 
      0.00000000       0.00000000       0.36734694 1.0 
      0.00000000      -0.00000000       0.37755102 1.0 
      0.00000000      -0.00000000       0.38775510 1.0 
      0.00000000       0.00000000       0.39795918 1.0 
      0.00000000      -0.00000000       0.40816327 1.0 
      0.00000000       0.00000000       0.41836735 1.0 
      0.00000000      -0.00000000       0.42857143 1.0 
      0.00000000      -0.00000000       0.43877551 1.0 
      0.00000000      -0.00000000       0.44897959 1.0 
      0.00000000      -0.00000000       0.45918367 1.0 
      0.00000000      -0.00000000       0.46938776 1.0 
      0.00000000      -0.00000000       0.47959184 1.0 
      0.00000000      -0.00000000       0.48979592 1.0 
      0.00000000      -0.00000000       0.50000000 1.0 
      0.00000000      -0.00000000       0.50000000 1.0 
     -0.00919008       0.00919008       0.50000000 1.0 
     -0.01838017       0.01838017       0.50000000 1.0 
     -0.02757025       0.02757025       0.50000000 1.0 
     -0.03676034       0.03676034       0.50000000 1.0 
     -0.04595042       0.04595042       0.50000000 1.0 
     -0.05514050       0.05514050       0.50000000 1.0 
     -0.06433059       0.06433059       0.50000000 1.0 
     -0.07352067       0.07352067       0.50000000 1.0 
     -0.08271075       0.08271075       0.50000000 1.0 
     -0.08271075       0.08271075       0.50000000 1.0 
     -0.08990540       0.08990540       0.49280536 1.0 
     -0.09710004       0.09710004       0.48561072 1.0 
     -0.10429468       0.10429468       0.47841607 1.0 
     -0.11148932       0.11148932       0.47122143 1.0 
     -0.11868396       0.11868396       0.46402679 1.0 
     -0.12587861       0.12587861       0.45683215 1.0 
     -0.13307325       0.13307325       0.44963750 1.0 
     -0.14026789       0.14026789       0.44244286 1.0 
     -0.14746253       0.14746253       0.43524822 1.0 
     -0.15465718       0.15465718       0.42805358 1.0 
     -0.16185182       0.16185182       0.42085894 1.0 
     -0.16904646       0.16904646       0.41366429 1.0 
     -0.17624110       0.17624110       0.40646965 1.0 
     -0.18343574       0.18343574       0.39927501 1.0 
     -0.19063039       0.19063039       0.39208037 1.0 
     -0.19782503       0.19782503       0.38488573 1.0 
     -0.20501967       0.20501967       0.37769108 1.0 
     -0.21221431       0.21221431       0.37049644 1.0 
     -0.21940896       0.21940896       0.36330180 1.0 
     -0.22660360       0.22660360       0.35610716 1.0 
     -0.23379824       0.23379824       0.34891251 1.0 
     -0.24099288       0.24099288       0.34171787 1.0 
     -0.24818752       0.24818752       0.33452323 1.0 
     -0.25538217       0.25538217       0.32732859 1.0 
     -0.26257681       0.26257681       0.32013395 1.0 
     -0.26977145       0.26977145       0.31293930 1.0 
     -0.27696609       0.27696609       0.30574466 1.0 
     -0.28416073       0.28416073       0.29855002 1.0 
     -0.29135538       0.29135538       0.29135538 1.0 
     -0.29135538       0.29135538       0.29135538 1.0 
     -0.28424915       0.28424915       0.28424915 1.0 
     -0.27714292       0.27714292       0.27714292 1.0 
     -0.27003669       0.27003669       0.27003669 1.0 
     -0.26293046       0.26293046       0.26293046 1.0 
     -0.25582423       0.25582423       0.25582423 1.0 
     -0.24871800       0.24871800       0.24871800 1.0 
     -0.24161178       0.24161178       0.24161178 1.0 
     -0.23450555       0.23450555       0.23450555 1.0 
     -0.22739932       0.22739932       0.22739932 1.0 
     -0.22029309       0.22029309       0.22029309 1.0 
     -0.21318686       0.21318686       0.21318686 1.0 
     -0.20608063       0.20608063       0.20608063 1.0 
     -0.19897440       0.19897440       0.19897440 1.0 
     -0.19186818       0.19186818       0.19186818 1.0 
     -0.18476195       0.18476195       0.18476195 1.0 
     -0.17765572       0.17765572       0.17765572 1.0 
     -0.17054949       0.17054949       0.17054949 1.0 
     -0.16344326       0.16344326       0.16344326 1.0 
     -0.15633703       0.15633703       0.15633703 1.0 
     -0.14923080       0.14923080       0.14923080 1.0 
     -0.14212457       0.14212457       0.14212457 1.0 
     -0.13501835       0.13501835       0.13501835 1.0 
     -0.12791212       0.12791212       0.12791212 1.0 
     -0.12080589       0.12080589       0.12080589 1.0 
     -0.11369966       0.11369966       0.11369966 1.0 
     -0.10659343       0.10659343       0.10659343 1.0 
     -0.09948720       0.09948720       0.09948720 1.0 
     -0.09238097       0.09238097       0.09238097 1.0 
     -0.08527474       0.08527474       0.08527474 1.0 
     -0.07816852       0.07816852       0.07816852 1.0 
     -0.07106229       0.07106229       0.07106229 1.0 
     -0.06395606       0.06395606       0.06395606 1.0 
     -0.05684983       0.05684983       0.05684983 1.0 
     -0.04974360       0.04974360       0.04974360 1.0 
     -0.04263737       0.04263737       0.04263737 1.0 
     -0.03553114       0.03553114       0.03553114 1.0 
     -0.02842491       0.02842491       0.02842491 1.0 
     -0.02131869       0.02131869       0.02131869 1.0 
     -0.01421246       0.01421246       0.01421246 1.0 
     -0.00710623       0.00710623       0.00710623 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 
      0.49280536       0.50719464      -0.49280536 1.0 
      0.48561072       0.51438928      -0.48561072 1.0 
      0.47841607       0.52158393      -0.47841607 1.0 
      0.47122143       0.52877857      -0.47122143 1.0 
      0.46402679       0.53597321      -0.46402679 1.0 
      0.45683215       0.54316785      -0.45683215 1.0 
      0.44963750       0.55036250      -0.44963750 1.0 
      0.44244286       0.55755714      -0.44244286 1.0 
      0.43524822       0.56475178      -0.43524822 1.0 
      0.42805358       0.57194642      -0.42805358 1.0 
      0.42085894       0.57914106      -0.42085894 1.0 
      0.41366429       0.58633571      -0.41366429 1.0 
      0.40646965       0.59353035      -0.40646965 1.0 
      0.39927501       0.60072499      -0.39927501 1.0 
      0.39208037       0.60791963      -0.39208037 1.0 
      0.38488573       0.61511427      -0.38488573 1.0 
      0.37769108       0.62230892      -0.37769108 1.0 
      0.37049644       0.62950356      -0.37049644 1.0 
      0.36330180       0.63669820      -0.36330180 1.0 
      0.35610716       0.64389284      -0.35610716 1.0 
      0.34891251       0.65108749      -0.34891251 1.0 
      0.34171787       0.65828213      -0.34171787 1.0 
      0.33452323       0.66547677      -0.33452323 1.0 
      0.32732859       0.67267141      -0.32732859 1.0 
      0.32013395       0.67986605      -0.32013395 1.0 
      0.31293930       0.68706070      -0.31293930 1.0 
      0.30574466       0.69425534      -0.30574466 1.0 
      0.29855002       0.70144998      -0.29855002 1.0 
      0.29135538       0.70864462      -0.29135538 1.0 
      0.29135538       0.70864462      -0.29135538 1.0 
      0.27314567       0.69560433      -0.27314567 1.0 
      0.25493595       0.68256405      -0.25493595 1.0 
      0.23672624       0.66952376      -0.23672624 1.0 
      0.21851653       0.65648347      -0.21851653 1.0 
      0.20030682       0.64344318      -0.20030682 1.0 
      0.18209711       0.63040289      -0.18209711 1.0 
      0.16388740       0.61736260      -0.16388740 1.0 
      0.14567769       0.60432231      -0.14567769 1.0 
      0.12746798       0.59128202      -0.12746798 1.0 
      0.10925827       0.57824173      -0.10925827 1.0 
      0.09104856       0.56520144      -0.09104856 1.0 
      0.07283884       0.55216116      -0.07283884 1.0 
      0.05462913       0.53912087      -0.05462913 1.0 
      0.03641942       0.52608058      -0.03641942 1.0 
      0.01820971       0.51304029      -0.01820971 1.0 
      0.00000000       0.50000000       0.00000000 1.0 
      0.00000000       0.50000000       0.00000000 1.0 
      0.00714286       0.49285714       0.00714286 1.0 
      0.01428571       0.48571429       0.01428571 1.0 
      0.02142857       0.47857143       0.02142857 1.0 
      0.02857143       0.47142857       0.02857143 1.0 
      0.03571429       0.46428571       0.03571429 1.0 
      0.04285714       0.45714286       0.04285714 1.0 
      0.05000000       0.45000000       0.05000000 1.0 
      0.05714286       0.44285714       0.05714286 1.0 
      0.06428571       0.43571429       0.06428571 1.0 
      0.07142857       0.42857143       0.07142857 1.0 
      0.07857143       0.42142857       0.07857143 1.0 
      0.08571429       0.41428571       0.08571429 1.0 
      0.09285714       0.40714286       0.09285714 1.0 
      0.10000000       0.40000000       0.10000000 1.0 
      0.10714286       0.39285714       0.10714286 1.0 
      0.11428571       0.38571429       0.11428571 1.0 
      0.12142857       0.37857143       0.12142857 1.0 
      0.12857143       0.37142857       0.12857143 1.0 
      0.13571429       0.36428571       0.13571429 1.0 
      0.14285714       0.35714286       0.14285714 1.0 
      0.15000000       0.35000000       0.15000000 1.0 
      0.15714286       0.34285714       0.15714286 1.0 
      0.16428571       0.33571429       0.16428571 1.0 
      0.17142857       0.32857143       0.17142857 1.0 
      0.17857143       0.32142857       0.17857143 1.0 
      0.18571429       0.31428571       0.18571429 1.0 
      0.19285714       0.30714286       0.19285714 1.0 
      0.20000000       0.30000000       0.20000000 1.0 
      0.20714286       0.29285714       0.20714286 1.0 
      0.21428571       0.28571429       0.21428571 1.0 
      0.22142857       0.27857143       0.22142857 1.0 
      0.22857143       0.27142857       0.22857143 1.0 
      0.23571429       0.26428571       0.23571429 1.0 
      0.24285714       0.25714286       0.24285714 1.0 
      0.25000000       0.25000000       0.25000000 1.0 
      0.25000000       0.25000000       0.25000000 1.0 
      0.26470588       0.26470588       0.23042878 1.0 
      0.27941176       0.27941176       0.21085756 1.0 
      0.29411765       0.29411765       0.19128634 1.0 
      0.30882353       0.30882353       0.17171512 1.0 
      0.32352941       0.32352941       0.15214390 1.0 
      0.33823529       0.33823529       0.13257268 1.0 
      0.35294118       0.35294118       0.11300145 1.0 
      0.36764706       0.36764706       0.09343023 1.0 
      0.38235294       0.38235294       0.07385901 1.0 
      0.39705882       0.39705882       0.05428779 1.0 
      0.41176471       0.41176471       0.03471657 1.0 
      0.42647059       0.42647059       0.01514535 1.0 
      0.44117647       0.44117647      -0.00442587 1.0 
      0.45588235       0.45588235      -0.02399709 1.0 
      0.47058824       0.47058824      -0.04356831 1.0 
      0.48529412       0.48529412      -0.06313953 1.0 
      0.50000000       0.50000000      -0.08271075 1.0 
      0.50000000       0.50000000      -0.08271075 1.0 
      0.50000000       0.50000000      -0.09288854 1.0 
      0.50000000       0.50000000      -0.10306633 1.0 
      0.50000000       0.50000000      -0.11324411 1.0 
      0.50000000       0.50000000      -0.12342190 1.0 
      0.50000000       0.50000000      -0.13359969 1.0 
      0.50000000       0.50000000      -0.14377747 1.0 
      0.50000000       0.50000000      -0.15395526 1.0 
      0.50000000       0.50000000      -0.16413305 1.0 
      0.50000000       0.50000000      -0.17431083 1.0 
      0.50000000       0.50000000      -0.18448862 1.0 
      0.50000000       0.50000000      -0.19466641 1.0 
      0.50000000       0.50000000      -0.20484419 1.0 
      0.50000000       0.50000000      -0.21502198 1.0 
      0.50000000       0.50000000      -0.22519976 1.0 
      0.50000000       0.50000000      -0.23537755 1.0 
      0.50000000       0.50000000      -0.24555534 1.0 
      0.50000000       0.50000000      -0.25573312 1.0 
      0.50000000       0.50000000      -0.26591091 1.0 
      0.50000000       0.50000000      -0.27608870 1.0 
      0.50000000       0.50000000      -0.28626648 1.0 
      0.50000000       0.50000000      -0.29644427 1.0 
      0.50000000       0.50000000      -0.30662206 1.0 
      0.50000000       0.50000000      -0.31679984 1.0 
      0.50000000       0.50000000      -0.32697763 1.0 
      0.50000000       0.50000000      -0.33715542 1.0 
      0.50000000       0.50000000      -0.34733320 1.0 
      0.50000000       0.50000000      -0.35751099 1.0 
      0.50000000       0.50000000      -0.36768878 1.0 
      0.50000000       0.50000000      -0.37786656 1.0 
      0.50000000       0.50000000      -0.38804435 1.0 
      0.50000000       0.50000000      -0.39822214 1.0 
      0.50000000       0.50000000      -0.40839992 1.0 
      0.50000000       0.50000000      -0.41857771 1.0 
      0.50000000       0.50000000      -0.42875549 1.0 
      0.50000000       0.50000000      -0.43893328 1.0 
      0.50000000       0.50000000      -0.44911107 1.0 
      0.50000000       0.50000000      -0.45928885 1.0 
      0.50000000       0.50000000      -0.46946664 1.0 
      0.50000000       0.50000000      -0.47964443 1.0 
      0.50000000       0.50000000      -0.48982221 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 

