! Pwscf input file created with ciftopw.py 
! Compound: K3PbAu5
&control
         calculation     = 'bands'
         prefix          = 'K3PbAu5'
         restart_mode    = 'from_scratch'
         outdir          = './'
         wf_collect      = .true.
         verbosity       = 'high'
       /
&system
         ibrav           =  14
         celldm(1)       =           20.7631156714649876
         celldm(2)       =            1.0000000000000000
         celldm(3)       =            1.0000000000000000
         celldm(4)       =           -0.8679725069770685
         celldm(5)       =           -0.7069233914721529
         celldm(6)       =            0.5748958984492214
         nat             =       18
         ntyp            =        3
         ecutwfc         =       47.00000000
         ecutrho         =      424.00000000
         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
Pb 207.2000 Pb.rel-pbe-dn-rrkjus_psl.1.0.0.UPF 
 K  39.0983 K.rel-pbe-spn-rrkjus_psl.1.0.0.UPF 
Au 196.9666 Au.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
ATOMIC_POSITIONS crystal
K_POINTS crystal
247
      0.00000000       0.00000000       0.00000000 1.0 
     -0.00874058       0.00874058       0.00874058 1.0 
     -0.01748117       0.01748117       0.01748117 1.0 
     -0.02622175       0.02622175       0.02622175 1.0 
     -0.03496234       0.03496234       0.03496234 1.0 
     -0.04370292       0.04370292       0.04370292 1.0 
     -0.05244351       0.05244351       0.05244351 1.0 
     -0.06118409       0.06118409       0.06118409 1.0 
     -0.06992468       0.06992468       0.06992468 1.0 
     -0.07866526       0.07866526       0.07866526 1.0 
     -0.08740585       0.08740585       0.08740585 1.0 
     -0.09614643       0.09614643       0.09614643 1.0 
     -0.10488702       0.10488702       0.10488702 1.0 
     -0.11362760       0.11362760       0.11362760 1.0 
     -0.12236819       0.12236819       0.12236819 1.0 
     -0.13110877       0.13110877       0.13110877 1.0 
     -0.13984936       0.13984936       0.13984936 1.0 
     -0.14858994       0.14858994       0.14858994 1.0 
     -0.15733053       0.15733053       0.15733053 1.0 
     -0.16607111       0.16607111       0.16607111 1.0 
     -0.17481170       0.17481170       0.17481170 1.0 
     -0.18355228       0.18355228       0.18355228 1.0 
     -0.19229287       0.19229287       0.19229287 1.0 
     -0.20103345       0.20103345       0.20103345 1.0 
     -0.20977404       0.20977404       0.20977404 1.0 
     -0.21851462       0.21851462       0.21851462 1.0 
     -0.22725521       0.22725521       0.22725521 1.0 
     -0.23599579       0.23599579       0.23599579 1.0 
     -0.24473638       0.24473638       0.24473638 1.0 
     -0.25347696       0.25347696       0.25347696 1.0 
     -0.26221755       0.26221755       0.26221755 1.0 
     -0.27095813       0.27095813       0.27095813 1.0 
     -0.27095813       0.27095813       0.27095813 1.0 
     -0.25824083       0.25824083       0.28367543 1.0 
     -0.24552353       0.24552353       0.29639273 1.0 
     -0.23280622       0.23280622       0.30911004 1.0 
     -0.22008892       0.22008892       0.32182734 1.0 
     -0.20737162       0.20737162       0.33454464 1.0 
     -0.19465432       0.19465432       0.34726194 1.0 
     -0.18193702       0.18193702       0.35997924 1.0 
     -0.16921972       0.16921972       0.37269654 1.0 
     -0.15650241       0.15650241       0.38541385 1.0 
     -0.14378511       0.14378511       0.39813115 1.0 
     -0.13106781       0.13106781       0.41084845 1.0 
     -0.11835051       0.11835051       0.42356575 1.0 
     -0.10563321       0.10563321       0.43628305 1.0 
     -0.09291591       0.09291591       0.44900036 1.0 
     -0.08019860       0.08019860       0.46171766 1.0 
     -0.06748130       0.06748130       0.47443496 1.0 
     -0.06748130       0.06748130       0.47443496 1.0 
     -0.05398504       0.05398504       0.47954797 1.0 
     -0.04048878       0.04048878       0.48466098 1.0 
     -0.02699252       0.02699252       0.48977398 1.0 
     -0.01349626       0.01349626       0.49488699 1.0 
      0.00000000       0.00000000       0.50000000 1.0 
      0.00000000       0.00000000       0.50000000 1.0 
      0.02777778       0.02777778       0.47222222 1.0 
      0.05555556       0.05555556       0.44444444 1.0 
      0.08333333       0.08333333       0.41666667 1.0 
      0.11111111       0.11111111       0.38888889 1.0 
      0.13888889       0.13888889       0.36111111 1.0 
      0.16666667       0.16666667       0.33333333 1.0 
      0.19444444       0.19444444       0.30555556 1.0 
      0.22222222       0.22222222       0.27777778 1.0 
      0.25000000       0.25000000       0.25000000 1.0 
      0.25000000       0.25000000       0.25000000 1.0 
      0.23684211       0.26315789       0.23684211 1.0 
      0.22368421       0.27631579       0.22368421 1.0 
      0.21052632       0.28947368       0.21052632 1.0 
      0.19736842       0.30263158       0.19736842 1.0 
      0.18421053       0.31578947       0.18421053 1.0 
      0.17105263       0.32894737       0.17105263 1.0 
      0.15789474       0.34210526       0.15789474 1.0 
      0.14473684       0.35526316       0.14473684 1.0 
      0.13157895       0.36842105       0.13157895 1.0 
      0.11842105       0.38157895       0.11842105 1.0 
      0.10526316       0.39473684       0.10526316 1.0 
      0.09210526       0.40789474       0.09210526 1.0 
      0.07894737       0.42105263       0.07894737 1.0 
      0.06578947       0.43421053       0.06578947 1.0 
      0.05263158       0.44736842       0.05263158 1.0 
      0.03947368       0.46052632       0.03947368 1.0 
      0.02631579       0.47368421       0.02631579 1.0 
      0.01315789       0.48684211       0.01315789 1.0 
      0.00000000       0.50000000       0.00000000 1.0 
      0.00000000       0.50000000       0.00000000 1.0 
      0.03010646       0.52544910      -0.03010646 1.0 
      0.06021292       0.55089819      -0.06021292 1.0 
      0.09031938       0.57634729      -0.09031938 1.0 
      0.12042584       0.60179639      -0.12042584 1.0 
      0.15053229       0.62724548      -0.15053229 1.0 
      0.18063875       0.65269458      -0.18063875 1.0 
      0.21074521       0.67814368      -0.21074521 1.0 
      0.24085167       0.70359277      -0.24085167 1.0 
      0.27095813       0.72904187      -0.27095813 1.0 
      0.27095813       0.72904187      -0.27095813 1.0 
      0.27976743       0.72023257      -0.27976743 1.0 
      0.28857674       0.71142326      -0.28857674 1.0 
      0.29738604       0.70261396      -0.29738604 1.0 
      0.30619534       0.69380466      -0.30619534 1.0 
      0.31500464       0.68499536      -0.31500464 1.0 
      0.32381395       0.67618605      -0.32381395 1.0 
      0.33262325       0.66737675      -0.33262325 1.0 
      0.34143255       0.65856745      -0.34143255 1.0 
      0.35024185       0.64975815      -0.35024185 1.0 
      0.35905116       0.64094884      -0.35905116 1.0 
      0.36786046       0.63213954      -0.36786046 1.0 
      0.37666976       0.62333024      -0.37666976 1.0 
      0.38547907       0.61452093      -0.38547907 1.0 
      0.39428837       0.60571163      -0.39428837 1.0 
      0.40309767       0.59690233      -0.40309767 1.0 
      0.41190697       0.58809303      -0.41190697 1.0 
      0.42071628       0.57928372      -0.42071628 1.0 
      0.42952558       0.57047442      -0.42952558 1.0 
      0.43833488       0.56166512      -0.43833488 1.0 
      0.44714418       0.55285582      -0.44714418 1.0 
      0.45595349       0.54404651      -0.45595349 1.0 
      0.46476279       0.53523721      -0.46476279 1.0 
      0.47357209       0.52642791      -0.47357209 1.0 
      0.48238139       0.51761861      -0.48238139 1.0 
      0.49119070       0.50880930      -0.49119070 1.0 
      0.50000000       0.50000000      -0.50000000 1.0 
      0.50000000       0.50000000      -0.50000000 1.0 
      0.47058824       0.47058824      -0.47058824 1.0 
      0.44117647       0.44117647      -0.44117647 1.0 
      0.41176471       0.41176471      -0.41176471 1.0 
      0.38235294       0.38235294      -0.38235294 1.0 
      0.35294118       0.35294118      -0.35294118 1.0 
      0.32352941       0.32352941      -0.32352941 1.0 
      0.29411765       0.29411765      -0.29411765 1.0 
      0.26470588       0.26470588      -0.26470588 1.0 
      0.23529412       0.23529412      -0.23529412 1.0 
      0.20588235       0.20588235      -0.20588235 1.0 
      0.17647059       0.17647059      -0.17647059 1.0 
      0.14705882       0.14705882      -0.14705882 1.0 
      0.11764706       0.11764706      -0.11764706 1.0 
      0.08823529       0.08823529      -0.08823529 1.0 
      0.05882353       0.05882353      -0.05882353 1.0 
      0.02941176       0.02941176      -0.02941176 1.0 
      0.00000000       0.00000000       0.00000000 1.0 
      0.00000000       0.00000000       0.00000000 1.0 
      0.01289231      -0.01289231       0.01289231 1.0 
      0.02578462      -0.02578462       0.02578462 1.0 
      0.03867694      -0.03867694       0.03867694 1.0 
      0.05156925      -0.05156925       0.05156925 1.0 
      0.06446156      -0.06446156       0.06446156 1.0 
      0.07735387      -0.07735387       0.07735387 1.0 
      0.09024618      -0.09024618       0.09024618 1.0 
      0.10313849      -0.10313849       0.10313849 1.0 
      0.11603081      -0.11603081       0.11603081 1.0 
      0.12892312      -0.12892312       0.12892312 1.0 
      0.14181543      -0.14181543       0.14181543 1.0 
      0.15470774      -0.15470774       0.15470774 1.0 
      0.16760005      -0.16760005       0.16760005 1.0 
      0.18049237      -0.18049237       0.18049237 1.0 
      0.19338468      -0.19338468       0.19338468 1.0 
      0.20627699      -0.20627699       0.20627699 1.0 
      0.21916930      -0.21916930       0.21916930 1.0 
      0.23206161      -0.23206161       0.23206161 1.0 
      0.24495392      -0.24495392       0.24495392 1.0 
      0.25784624      -0.25784624       0.25784624 1.0 
      0.27073855      -0.27073855       0.27073855 1.0 
      0.28363086      -0.28363086       0.28363086 1.0 
      0.29652317      -0.29652317       0.29652317 1.0 
      0.29652317      -0.29652317       0.29652317 1.0 
      0.31913171      -0.26357615       0.26357615 1.0 
      0.34174024      -0.23062913       0.23062913 1.0 
      0.36434878      -0.19768211       0.19768211 1.0 
      0.38695732      -0.16473510       0.16473510 1.0 
      0.40956585      -0.13178808       0.13178808 1.0 
      0.43217439      -0.09884106       0.09884106 1.0 
      0.45478293      -0.06589404       0.06589404 1.0 
      0.47739146      -0.03294702       0.03294702 1.0 
      0.50000000       0.00000000       0.00000000 1.0 
      0.50000000       0.00000000       0.00000000 1.0 
      0.49107143       0.00892857       0.00892857 1.0 
      0.48214286       0.01785714       0.01785714 1.0 
      0.47321429       0.02678571       0.02678571 1.0 
      0.46428571       0.03571429       0.03571429 1.0 
      0.45535714       0.04464286       0.04464286 1.0 
      0.44642857       0.05357143       0.05357143 1.0 
      0.43750000       0.06250000       0.06250000 1.0 
      0.42857143       0.07142857       0.07142857 1.0 
      0.41964286       0.08035714       0.08035714 1.0 
      0.41071429       0.08928571       0.08928571 1.0 
      0.40178571       0.09821429       0.09821429 1.0 
      0.39285714       0.10714286       0.10714286 1.0 
      0.38392857       0.11607143       0.11607143 1.0 
      0.37500000       0.12500000       0.12500000 1.0 
      0.36607143       0.13392857       0.13392857 1.0 
      0.35714286       0.14285714       0.14285714 1.0 
      0.34821429       0.15178571       0.15178571 1.0 
      0.33928571       0.16071429       0.16071429 1.0 
      0.33035714       0.16964286       0.16964286 1.0 
      0.32142857       0.17857143       0.17857143 1.0 
      0.31250000       0.18750000       0.18750000 1.0 
      0.30357143       0.19642857       0.19642857 1.0 
      0.29464286       0.20535714       0.20535714 1.0 
      0.28571429       0.21428571       0.21428571 1.0 
      0.27678571       0.22321429       0.22321429 1.0 
      0.26785714       0.23214286       0.23214286 1.0 
      0.25892857       0.24107143       0.24107143 1.0 
      0.25000000       0.25000000       0.25000000 1.0 
      0.06748130      -0.06748130       0.52556504 1.0 
      0.07629060      -0.07629060       0.51675574 1.0 
      0.08509991      -0.08509991       0.50794644 1.0 
      0.09390921      -0.09390921       0.49913713 1.0 
      0.10271851      -0.10271851       0.49032783 1.0 
      0.11152782      -0.11152782       0.48151853 1.0 
      0.12033712      -0.12033712       0.47270923 1.0 
      0.12914642      -0.12914642       0.46389992 1.0 
      0.13795572      -0.13795572       0.45509062 1.0 
      0.14676503      -0.14676503       0.44628132 1.0 
      0.15557433      -0.15557433       0.43747201 1.0 
      0.16438363      -0.16438363       0.42866271 1.0 
      0.17319293      -0.17319293       0.41985341 1.0 
      0.18200224      -0.18200224       0.41104411 1.0 
      0.19081154      -0.19081154       0.40223480 1.0 
      0.19962084      -0.19962084       0.39342550 1.0 
      0.20843014      -0.20843014       0.38461620 1.0 
      0.21723945      -0.21723945       0.37580690 1.0 
      0.22604875      -0.22604875       0.36699759 1.0 
      0.23485805      -0.23485805       0.35818829 1.0 
      0.24366736      -0.24366736       0.34937899 1.0 
      0.25247666      -0.25247666       0.34056969 1.0 
      0.26128596      -0.26128596       0.33176038 1.0 
      0.27009526      -0.27009526       0.32295108 1.0 
      0.27890457      -0.27890457       0.31414178 1.0 
      0.28771387      -0.28771387       0.30533247 1.0 
      0.29652317      -0.29652317       0.29652317 1.0 
      0.70347683       0.29652317      -0.29652317 1.0 
      0.69075953       0.30924047      -0.30924047 1.0 
      0.67804222       0.32195778      -0.32195778 1.0 
      0.66532492       0.33467508      -0.33467508 1.0 
      0.65260762       0.34739238      -0.34739238 1.0 
      0.63989032       0.36010968      -0.36010968 1.0 
      0.62717302       0.37282698      -0.37282698 1.0 
      0.61445572       0.38554428      -0.38554428 1.0 
      0.60173841       0.39826159      -0.39826159 1.0 
      0.58902111       0.41097889      -0.41097889 1.0 
      0.57630381       0.42369619      -0.42369619 1.0 
      0.56358651       0.43641349      -0.43641349 1.0 
      0.55086921       0.44913079      -0.44913079 1.0 
      0.53815191       0.46184809      -0.46184809 1.0 
      0.52543460       0.47456540      -0.47456540 1.0 
      0.51271730       0.48728270      -0.48728270 1.0 
      0.50000000       0.50000000      -0.50000000 1.0 

