! Pwscf input file created with pymatgen.py 
! Compound: Na6PbO5
&control
         calculation     = 'bands'
         prefix          = 'Na6PbO5'
         restart_mode    = 'from_scratch'
         outdir          = './'
         wf_collect      = .true.
         verbosity       = 'high'
       /
&system
         ibrav           =  14
         celldm(1)       =           11.5545086594932602
         celldm(2)       =            1.0000000000000000
         celldm(3)       =            1.0000000000000000
         celldm(4)       =           -0.2056069622324583
         celldm(5)       =           -0.2056069622324583
         celldm(6)       =           -0.5887860755350832
         nat             =       12
         ntyp            =        3
         ecutwfc         =       67.00000000
         ecutrho         =      324.00000000
         occupations     =  'smearing'  
         smearing        =  'f-d' 
         degauss         =        1.00000000e-03  
         noncolin        =  .true. 
         lspinorb        =  .true. 
/
&electrons
         conv_thr        =        1.00000000e-08 
         mixing_beta     =        3.00000000e-01    
   /
ATOMIC_SPECIES
 O  15.9994 O.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
Pb 207.2000 Pb.rel-pbe-dn-rrkjus_psl.1.0.0.UPF 
Na  22.9898 Na.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF 
ATOMIC_POSITIONS crystal
K_POINTS crystal
274
      0.00000000       0.00000000       0.00000000 1.0 
      0.00000000      -0.00000000       0.01724138 1.0 
      0.00000000      -0.00000000       0.03448276 1.0 
      0.00000000      -0.00000000       0.05172414 1.0 
      0.00000000      -0.00000000       0.06896552 1.0 
      0.00000000      -0.00000000       0.08620690 1.0 
      0.00000000      -0.00000000       0.10344828 1.0 
      0.00000000      -0.00000000       0.12068966 1.0 
      0.00000000      -0.00000000       0.13793103 1.0 
      0.00000000      -0.00000000       0.15517241 1.0 
      0.00000000      -0.00000000       0.17241379 1.0 
      0.00000000      -0.00000000       0.18965517 1.0 
      0.00000000      -0.00000000       0.20689655 1.0 
      0.00000000      -0.00000000       0.22413793 1.0 
      0.00000000      -0.00000000       0.24137931 1.0 
      0.00000000      -0.00000000       0.25862069 1.0 
      0.00000000      -0.00000000       0.27586207 1.0 
      0.00000000      -0.00000000       0.29310345 1.0 
      0.00000000      -0.00000000       0.31034483 1.0 
      0.00000000      -0.00000000       0.32758621 1.0 
      0.00000000      -0.00000000       0.34482759 1.0 
      0.00000000      -0.00000000       0.36206897 1.0 
      0.00000000      -0.00000000       0.37931034 1.0 
      0.00000000      -0.00000000       0.39655172 1.0 
      0.00000000      -0.00000000       0.41379310 1.0 
      0.00000000      -0.00000000       0.43103448 1.0 
      0.00000000      -0.00000000       0.44827586 1.0 
      0.00000000      -0.00000000       0.46551724 1.0 
      0.00000000      -0.00000000       0.48275862 1.0 
      0.00000000      -0.00000000       0.50000000 1.0 
      0.00000000      -0.00000000       0.50000000 1.0 
     -0.01724138       0.01724138       0.50000000 1.0 
     -0.03448276       0.03448276       0.50000000 1.0 
     -0.05172414       0.05172414       0.50000000 1.0 
     -0.06896552       0.06896552       0.50000000 1.0 
     -0.08620690       0.08620690       0.50000000 1.0 
     -0.10344828       0.10344828       0.50000000 1.0 
     -0.12068966       0.12068966       0.50000000 1.0 
     -0.13793103       0.13793103       0.50000000 1.0 
     -0.15517241       0.15517241       0.50000000 1.0 
     -0.17241379       0.17241379       0.50000000 1.0 
     -0.18965517       0.18965517       0.50000000 1.0 
     -0.20689655       0.20689655       0.50000000 1.0 
     -0.22413793       0.22413793       0.50000000 1.0 
     -0.24137931       0.24137931       0.50000000 1.0 
     -0.25862069       0.25862069       0.50000000 1.0 
     -0.27586207       0.27586207       0.50000000 1.0 
     -0.29310345       0.29310345       0.50000000 1.0 
     -0.31034483       0.31034483       0.50000000 1.0 
     -0.32758621       0.32758621       0.50000000 1.0 
     -0.34482759       0.34482759       0.50000000 1.0 
     -0.36206897       0.36206897       0.50000000 1.0 
     -0.37931034       0.37931034       0.50000000 1.0 
     -0.39655172       0.39655172       0.50000000 1.0 
     -0.41379310       0.41379310       0.50000000 1.0 
     -0.43103448       0.43103448       0.50000000 1.0 
     -0.44827586       0.44827586       0.50000000 1.0 
     -0.46551724       0.46551724       0.50000000 1.0 
     -0.48275862       0.48275862       0.50000000 1.0 
     -0.50000000       0.50000000       0.50000000 1.0 
     -0.50000000       0.50000000       0.50000000 1.0 
     -0.48780488       0.48780488       0.48780488 1.0 
     -0.47560976       0.47560976       0.47560976 1.0 
     -0.46341463       0.46341463       0.46341463 1.0 
     -0.45121951       0.45121951       0.45121951 1.0 
     -0.43902439       0.43902439       0.43902439 1.0 
     -0.42682927       0.42682927       0.42682927 1.0 
     -0.41463415       0.41463415       0.41463415 1.0 
     -0.40243902       0.40243902       0.40243902 1.0 
     -0.39024390       0.39024390       0.39024390 1.0 
     -0.37804878       0.37804878       0.37804878 1.0 
     -0.36585366       0.36585366       0.36585366 1.0 
     -0.35365854       0.35365854       0.35365854 1.0 
     -0.34146341       0.34146341       0.34146341 1.0 
     -0.32926829       0.32926829       0.32926829 1.0 
     -0.31707317       0.31707317       0.31707317 1.0 
     -0.30487805       0.30487805       0.30487805 1.0 
     -0.29268293       0.29268293       0.29268293 1.0 
     -0.28048780       0.28048780       0.28048780 1.0 
     -0.26829268       0.26829268       0.26829268 1.0 
     -0.25609756       0.25609756       0.25609756 1.0 
     -0.24390244       0.24390244       0.24390244 1.0 
     -0.23170732       0.23170732       0.23170732 1.0 
     -0.21951220       0.21951220       0.21951220 1.0 
     -0.20731707       0.20731707       0.20731707 1.0 
     -0.19512195       0.19512195       0.19512195 1.0 
     -0.18292683       0.18292683       0.18292683 1.0 
     -0.17073171       0.17073171       0.17073171 1.0 
     -0.15853659       0.15853659       0.15853659 1.0 
     -0.14634146       0.14634146       0.14634146 1.0 
     -0.13414634       0.13414634       0.13414634 1.0 
     -0.12195122       0.12195122       0.12195122 1.0 
     -0.10975610       0.10975610       0.10975610 1.0 
     -0.09756098       0.09756098       0.09756098 1.0 
     -0.08536585       0.08536585       0.08536585 1.0 
     -0.07317073       0.07317073       0.07317073 1.0 
     -0.06097561       0.06097561       0.06097561 1.0 
     -0.04878049       0.04878049       0.04878049 1.0 
     -0.03658537       0.03658537       0.03658537 1.0 
     -0.02439024       0.02439024       0.02439024 1.0 
     -0.01219512       0.01219512       0.01219512 1.0 
      0.00000000       0.00000000       0.00000000 1.0 
      0.00000000       0.00000000       0.00000000 1.0 
      0.00882352       0.00882352      -0.00882352 1.0 
      0.01764704       0.01764704      -0.01764704 1.0 
      0.02647056       0.02647056      -0.02647056 1.0 
      0.03529408       0.03529408      -0.03529408 1.0 
      0.04411760       0.04411760      -0.04411760 1.0 
      0.05294112       0.05294112      -0.05294112 1.0 
      0.06176464       0.06176464      -0.06176464 1.0 
      0.07058816       0.07058816      -0.07058816 1.0 
      0.07941168       0.07941168      -0.07941168 1.0 
      0.08823520       0.08823520      -0.08823520 1.0 
      0.09705872       0.09705872      -0.09705872 1.0 
      0.10588224       0.10588224      -0.10588224 1.0 
      0.11470576       0.11470576      -0.11470576 1.0 
      0.12352928       0.12352928      -0.12352928 1.0 
      0.13235280       0.13235280      -0.13235280 1.0 
      0.14117632       0.14117632      -0.14117632 1.0 
      0.14999984       0.14999984      -0.14999984 1.0 
      0.15882336       0.15882336      -0.15882336 1.0 
      0.16764688       0.16764688      -0.16764688 1.0 
      0.17647040       0.17647040      -0.17647040 1.0 
      0.18529392       0.18529392      -0.18529392 1.0 
      0.19411744       0.19411744      -0.19411744 1.0 
      0.20294096       0.20294096      -0.20294096 1.0 
      0.21176448       0.21176448      -0.21176448 1.0 
      0.22058800       0.22058800      -0.22058800 1.0 
      0.22941152       0.22941152      -0.22941152 1.0 
      0.23823504       0.23823504      -0.23823504 1.0 
      0.24705856       0.24705856      -0.24705856 1.0 
      0.25588208       0.25588208      -0.25588208 1.0 
      0.26470560       0.26470560      -0.26470560 1.0 
      0.27352912       0.27352912      -0.27352912 1.0 
      0.28235264       0.28235264      -0.28235264 1.0 
      0.29117616       0.29117616      -0.29117616 1.0 
      0.29999968       0.29999968      -0.29999968 1.0 
      0.30882320       0.30882320      -0.30882320 1.0 
      0.31764672       0.31764672      -0.31764672 1.0 
      0.32647024       0.32647024      -0.32647024 1.0 
      0.33529376       0.33529376      -0.33529376 1.0 
      0.34411728       0.34411728      -0.34411728 1.0 
      0.35294080       0.35294080      -0.35294080 1.0 
      0.36176432       0.36176432      -0.36176432 1.0 
      0.37058784       0.37058784      -0.37058784 1.0 
      0.37941136       0.37941136      -0.37941136 1.0 
      0.37941136       0.37941136      -0.37941136 1.0 
      0.37548980       0.37548980      -0.36033829 1.0 
      0.37156824       0.37156824      -0.34126521 1.0 
      0.36764669       0.36764669      -0.32219214 1.0 
      0.36372513       0.36372513      -0.30311907 1.0 
      0.35980358       0.35980358      -0.28404600 1.0 
      0.35588202       0.35588202      -0.26497293 1.0 
      0.35196046       0.35196046      -0.24589986 1.0 
      0.34803891       0.34803891      -0.22682679 1.0 
      0.34411735       0.34411735      -0.20775371 1.0 
      0.34019579       0.34019579      -0.18868064 1.0 
      0.33627424       0.33627424      -0.16960757 1.0 
      0.33235268       0.33235268      -0.15053450 1.0 
      0.32843113       0.32843113      -0.13146143 1.0 
      0.32450957       0.32450957      -0.11238836 1.0 
      0.32058801       0.32058801      -0.09331529 1.0 
      0.31666646       0.31666646      -0.07424221 1.0 
      0.31274490       0.31274490      -0.05516914 1.0 
      0.30882334       0.30882334      -0.03609607 1.0 
      0.30490179       0.30490179      -0.01702300 1.0 
      0.30098023       0.30098023       0.00205007 1.0 
      0.29705868       0.29705868       0.02112314 1.0 
      0.29313712       0.29313712       0.04019621 1.0 
      0.28921556       0.28921556       0.05926929 1.0 
      0.28529401       0.28529401       0.07834236 1.0 
      0.28137245       0.28137245       0.09741543 1.0 
      0.27745089       0.27745089       0.11648850 1.0 
      0.27352934       0.27352934       0.13556157 1.0 
      0.26960778       0.26960778       0.15463464 1.0 
      0.26568623       0.26568623       0.17370771 1.0 
      0.26176467       0.26176467       0.19278079 1.0 
      0.25784311       0.25784311       0.21185386 1.0 
      0.25392156       0.25392156       0.23092693 1.0 
      0.25000000       0.25000000       0.25000000 1.0 
      0.25000000       0.25000000       0.25000000 1.0 
      0.23809524       0.26190476       0.23809524 1.0 
      0.22619048       0.27380952       0.22619048 1.0 
      0.21428571       0.28571429       0.21428571 1.0 
      0.20238095       0.29761905       0.20238095 1.0 
      0.19047619       0.30952381       0.19047619 1.0 
      0.17857143       0.32142857       0.17857143 1.0 
      0.16666667       0.33333333       0.16666667 1.0 
      0.15476190       0.34523810       0.15476190 1.0 
      0.14285714       0.35714286       0.14285714 1.0 
      0.13095238       0.36904762       0.13095238 1.0 
      0.11904762       0.38095238       0.11904762 1.0 
      0.10714286       0.39285714       0.10714286 1.0 
      0.09523810       0.40476190       0.09523810 1.0 
      0.08333333       0.41666667       0.08333333 1.0 
      0.07142857       0.42857143       0.07142857 1.0 
      0.05952381       0.44047619       0.05952381 1.0 
      0.04761905       0.45238095       0.04761905 1.0 
      0.03571429       0.46428571       0.03571429 1.0 
      0.02380952       0.47619048       0.02380952 1.0 
      0.01190476       0.48809524       0.01190476 1.0 
      0.00000000       0.50000000      -0.00000000 1.0 
      0.00000000       0.50000000      -0.00000000 1.0 
     -0.01459274       0.50463802       0.01459274 1.0 
     -0.02918549       0.50927605       0.02918549 1.0 
     -0.04377823       0.51391407       0.04377823 1.0 
     -0.05837098       0.51855210       0.05837098 1.0 
     -0.07296372       0.52319012       0.07296372 1.0 
     -0.08755647       0.52782815       0.08755647 1.0 
     -0.10214921       0.53246617       0.10214921 1.0 
     -0.11674196       0.53710420       0.11674196 1.0 
     -0.13133470       0.54174222       0.13133470 1.0 
     -0.14592745       0.54638025       0.14592745 1.0 
     -0.16052019       0.55101827       0.16052019 1.0 
     -0.17511293       0.55565630       0.17511293 1.0 
     -0.18970568       0.56029432       0.18970568 1.0 
     -0.20429842       0.56493235       0.20429842 1.0 
     -0.21889117       0.56957037       0.21889117 1.0 
     -0.23348391       0.57420840       0.23348391 1.0 
     -0.24807666       0.57884642       0.24807666 1.0 
     -0.26266940       0.58348445       0.26266940 1.0 
     -0.27726215       0.58812247       0.27726215 1.0 
     -0.29185489       0.59276049       0.29185489 1.0 
     -0.30644763       0.59739852       0.30644763 1.0 
     -0.32104038       0.60203654       0.32104038 1.0 
     -0.33563312       0.60667457       0.33563312 1.0 
     -0.35022587       0.61131259       0.35022587 1.0 
     -0.36481861       0.61595062       0.36481861 1.0 
     -0.37941136       0.62058864       0.37941136 1.0 
     -0.37941136       0.62058864       0.37941136 1.0 
     -0.38802483       0.61197517       0.38802483 1.0 
     -0.39663831       0.60336169       0.39663831 1.0 
     -0.40525178       0.59474822       0.40525178 1.0 
     -0.41386526       0.58613474       0.41386526 1.0 
     -0.42247873       0.57752127       0.42247873 1.0 
     -0.43109220       0.56890780       0.43109220 1.0 
     -0.43970568       0.56029432       0.43970568 1.0 
     -0.44831915       0.55168085       0.44831915 1.0 
     -0.45693263       0.54306737       0.45693263 1.0 
     -0.46554610       0.53445390       0.46554610 1.0 
     -0.47415958       0.52584042       0.47415958 1.0 
     -0.48277305       0.51722695       0.48277305 1.0 
     -0.49138653       0.50861347       0.49138653 1.0 
     -0.50000000       0.50000000       0.50000000 1.0 
      0.00000000      -0.00000000       0.50000000 1.0 
      0.00862069       0.00862069       0.49137931 1.0 
      0.01724138       0.01724138       0.48275862 1.0 
      0.02586207       0.02586207       0.47413793 1.0 
      0.03448276       0.03448276       0.46551724 1.0 
      0.04310345       0.04310345       0.45689655 1.0 
      0.05172414       0.05172414       0.44827586 1.0 
      0.06034483       0.06034483       0.43965517 1.0 
      0.06896552       0.06896552       0.43103448 1.0 
      0.07758621       0.07758621       0.42241379 1.0 
      0.08620690       0.08620690       0.41379310 1.0 
      0.09482759       0.09482759       0.40517241 1.0 
      0.10344828       0.10344828       0.39655172 1.0 
      0.11206897       0.11206897       0.38793103 1.0 
      0.12068966       0.12068966       0.37931034 1.0 
      0.12931034       0.12931034       0.37068966 1.0 
      0.13793103       0.13793103       0.36206897 1.0 
      0.14655172       0.14655172       0.35344828 1.0 
      0.15517241       0.15517241       0.34482759 1.0 
      0.16379310       0.16379310       0.33620690 1.0 
      0.17241379       0.17241379       0.32758621 1.0 
      0.18103448       0.18103448       0.31896552 1.0 
      0.18965517       0.18965517       0.31034483 1.0 
      0.19827586       0.19827586       0.30172414 1.0 
      0.20689655       0.20689655       0.29310345 1.0 
      0.21551724       0.21551724       0.28448276 1.0 
      0.22413793       0.22413793       0.27586207 1.0 
      0.23275862       0.23275862       0.26724138 1.0 
      0.24137931       0.24137931       0.25862069 1.0 
      0.25000000       0.25000000       0.25000000 1.0 

