! Pwscf input file created with pymatgen.py 
! Compound: Na4CO4
&control
         calculation     = 'bands'
         prefix          = 'Na4CO4'
         restart_mode    = 'from_scratch'
         outdir          = './'
         wf_collect      = .true.
         verbosity       = 'high'
       /
&system
         ibrav           =  14
         celldm(1)       =           11.0245475486425271
         celldm(2)       =            1.0000000000000000
         celldm(3)       =            1.0000000000000000
         celldm(4)       =           -0.1197079163544657
         celldm(5)       =           -0.1197079163544657
         celldm(6)       =           -0.7605841672910685
         nat             =        9
         ntyp            =        3
         ecutwfc         =       67.00000000
         ecutrho         =      327.00000000
         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 
Na  22.9898 Na.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF 
 C  12.0107 C.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
ATOMIC_POSITIONS crystal
K_POINTS crystal
301
      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 
      0.00635987       0.00635987      -0.00635987 1.0 
      0.01271973       0.01271973      -0.01271973 1.0 
      0.01907960       0.01907960      -0.01907960 1.0 
      0.02543946       0.02543946      -0.02543946 1.0 
      0.03179933       0.03179933      -0.03179933 1.0 
      0.03815920       0.03815920      -0.03815920 1.0 
      0.04451906       0.04451906      -0.04451906 1.0 
      0.05087893       0.05087893      -0.05087893 1.0 
      0.05723879       0.05723879      -0.05723879 1.0 
      0.06359866       0.06359866      -0.06359866 1.0 
      0.06995852       0.06995852      -0.06995852 1.0 
      0.07631839       0.07631839      -0.07631839 1.0 
      0.08267826       0.08267826      -0.08267826 1.0 
      0.08903812       0.08903812      -0.08903812 1.0 
      0.09539799       0.09539799      -0.09539799 1.0 
      0.10175785       0.10175785      -0.10175785 1.0 
      0.10811772       0.10811772      -0.10811772 1.0 
      0.11447759       0.11447759      -0.11447759 1.0 
      0.12083745       0.12083745      -0.12083745 1.0 
      0.12719732       0.12719732      -0.12719732 1.0 
      0.13355718       0.13355718      -0.13355718 1.0 
      0.13991705       0.13991705      -0.13991705 1.0 
      0.14627692       0.14627692      -0.14627692 1.0 
      0.15263678       0.15263678      -0.15263678 1.0 
      0.15899665       0.15899665      -0.15899665 1.0 
      0.16535651       0.16535651      -0.16535651 1.0 
      0.17171638       0.17171638      -0.17171638 1.0 
      0.17807624       0.17807624      -0.17807624 1.0 
      0.18443611       0.18443611      -0.18443611 1.0 
      0.19079598       0.19079598      -0.19079598 1.0 
      0.19715584       0.19715584      -0.19715584 1.0 
      0.20351571       0.20351571      -0.20351571 1.0 
      0.20987557       0.20987557      -0.20987557 1.0 
      0.21623544       0.21623544      -0.21623544 1.0 
      0.22259531       0.22259531      -0.22259531 1.0 
      0.22895517       0.22895517      -0.22895517 1.0 
      0.23531504       0.23531504      -0.23531504 1.0 
      0.24167490       0.24167490      -0.24167490 1.0 
      0.24803477       0.24803477      -0.24803477 1.0 
      0.25439463       0.25439463      -0.25439463 1.0 
      0.26075450       0.26075450      -0.26075450 1.0 
      0.26711437       0.26711437      -0.26711437 1.0 
      0.27347423       0.27347423      -0.27347423 1.0 
      0.27983410       0.27983410      -0.27983410 1.0 
      0.28619396       0.28619396      -0.28619396 1.0 
      0.29255383       0.29255383      -0.29255383 1.0 
      0.29891370       0.29891370      -0.29891370 1.0 
      0.30527356       0.30527356      -0.30527356 1.0 
      0.31163343       0.31163343      -0.31163343 1.0 
      0.31799329       0.31799329      -0.31799329 1.0 
      0.31799329       0.31799329      -0.31799329 1.0 
      0.31579996       0.31579996      -0.29967093 1.0 
      0.31360663       0.31360663      -0.28134857 1.0 
      0.31141330       0.31141330      -0.26302620 1.0 
      0.30921997       0.30921997      -0.24470384 1.0 
      0.30702663       0.30702663      -0.22638147 1.0 
      0.30483330       0.30483330      -0.20805911 1.0 
      0.30263997       0.30263997      -0.18973674 1.0 
      0.30044664       0.30044664      -0.17141438 1.0 
      0.29825331       0.29825331      -0.15309201 1.0 
      0.29605997       0.29605997      -0.13476965 1.0 
      0.29386664       0.29386664      -0.11644729 1.0 
      0.29167331       0.29167331      -0.09812492 1.0 
      0.28947998       0.28947998      -0.07980256 1.0 
      0.28728664       0.28728664      -0.06148019 1.0 
      0.28509331       0.28509331      -0.04315783 1.0 
      0.28289998       0.28289998      -0.02483546 1.0 
      0.28070665       0.28070665      -0.00651310 1.0 
      0.27851332       0.27851332       0.01180926 1.0 
      0.27631998       0.27631998       0.03013163 1.0 
      0.27412665       0.27412665       0.04845399 1.0 
      0.27193332       0.27193332       0.06677636 1.0 
      0.26973999       0.26973999       0.08509872 1.0 
      0.26754666       0.26754666       0.10342109 1.0 
      0.26535332       0.26535332       0.12174345 1.0 
      0.26315999       0.26315999       0.14006581 1.0 
      0.26096666       0.26096666       0.15838818 1.0 
      0.25877333       0.25877333       0.17671054 1.0 
      0.25658000       0.25658000       0.19503291 1.0 
      0.25438666       0.25438666       0.21335527 1.0 
      0.25219333       0.25219333       0.23167764 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 
     -0.01382580       0.50791334       0.01382580 1.0 
     -0.02765159       0.51582667       0.02765159 1.0 
     -0.04147739       0.52374001       0.04147739 1.0 
     -0.05530318       0.53165334       0.05530318 1.0 
     -0.06912898       0.53956668       0.06912898 1.0 
     -0.08295477       0.54748001       0.08295477 1.0 
     -0.09678057       0.55539335       0.09678057 1.0 
     -0.11060636       0.56330668       0.11060636 1.0 
     -0.12443216       0.57122002       0.12443216 1.0 
     -0.13825795       0.57913335       0.13825795 1.0 
     -0.15208375       0.58704669       0.15208375 1.0 
     -0.16590954       0.59496002       0.16590954 1.0 
     -0.17973534       0.60287336       0.17973534 1.0 
     -0.19356114       0.61078669       0.19356114 1.0 
     -0.20738693       0.61870003       0.20738693 1.0 
     -0.22121273       0.62661336       0.22121273 1.0 
     -0.23503852       0.63452670       0.23503852 1.0 
     -0.24886432       0.64244003       0.24886432 1.0 
     -0.26269011       0.65035337       0.26269011 1.0 
     -0.27651591       0.65826670       0.27651591 1.0 
     -0.29034170       0.66618004       0.29034170 1.0 
     -0.30416750       0.67409337       0.30416750 1.0 
     -0.31799329       0.68200671       0.31799329 1.0 
     -0.31799329       0.68200671       0.31799329 1.0 
     -0.32426939       0.67573061       0.32426939 1.0 
     -0.33054548       0.66945452       0.33054548 1.0 
     -0.33682157       0.66317843       0.33682157 1.0 
     -0.34309767       0.65690233       0.34309767 1.0 
     -0.34937376       0.65062624       0.34937376 1.0 
     -0.35564985       0.64435015       0.35564985 1.0 
     -0.36192595       0.63807405       0.36192595 1.0 
     -0.36820204       0.63179796       0.36820204 1.0 
     -0.37447813       0.62552187       0.37447813 1.0 
     -0.38075423       0.61924577       0.38075423 1.0 
     -0.38703032       0.61296968       0.38703032 1.0 
     -0.39330641       0.60669359       0.39330641 1.0 
     -0.39958251       0.60041749       0.39958251 1.0 
     -0.40585860       0.59414140       0.40585860 1.0 
     -0.41213469       0.58786531       0.41213469 1.0 
     -0.41841079       0.58158921       0.41841079 1.0 
     -0.42468688       0.57531312       0.42468688 1.0 
     -0.43096297       0.56903703       0.43096297 1.0 
     -0.43723907       0.56276093       0.43723907 1.0 
     -0.44351516       0.55648484       0.44351516 1.0 
     -0.44979125       0.55020875       0.44979125 1.0 
     -0.45606735       0.54393265       0.45606735 1.0 
     -0.46234344       0.53765656       0.46234344 1.0 
     -0.46861953       0.53138047       0.46861953 1.0 
     -0.47489563       0.52510437       0.47489563 1.0 
     -0.48117172       0.51882828       0.48117172 1.0 
     -0.48744781       0.51255219       0.48744781 1.0 
     -0.49372391       0.50627609       0.49372391 1.0 
     -0.50000000       0.50000000       0.50000000 1.0 
     -0.00000000       0.00000000       0.50000000 1.0 
      0.00641026       0.00641026       0.49358974 1.0 
      0.01282051       0.01282051       0.48717949 1.0 
      0.01923077       0.01923077       0.48076923 1.0 
      0.02564103       0.02564103       0.47435897 1.0 
      0.03205128       0.03205128       0.46794872 1.0 
      0.03846154       0.03846154       0.46153846 1.0 
      0.04487179       0.04487179       0.45512821 1.0 
      0.05128205       0.05128205       0.44871795 1.0 
      0.05769231       0.05769231       0.44230769 1.0 
      0.06410256       0.06410256       0.43589744 1.0 
      0.07051282       0.07051282       0.42948718 1.0 
      0.07692308       0.07692308       0.42307692 1.0 
      0.08333333       0.08333333       0.41666667 1.0 
      0.08974359       0.08974359       0.41025641 1.0 
      0.09615385       0.09615385       0.40384615 1.0 
      0.10256410       0.10256410       0.39743590 1.0 
      0.10897436       0.10897436       0.39102564 1.0 
      0.11538462       0.11538462       0.38461538 1.0 
      0.12179487       0.12179487       0.37820513 1.0 
      0.12820513       0.12820513       0.37179487 1.0 
      0.13461538       0.13461538       0.36538462 1.0 
      0.14102564       0.14102564       0.35897436 1.0 
      0.14743590       0.14743590       0.35256410 1.0 
      0.15384615       0.15384615       0.34615385 1.0 
      0.16025641       0.16025641       0.33974359 1.0 
      0.16666667       0.16666667       0.33333333 1.0 
      0.17307692       0.17307692       0.32692308 1.0 
      0.17948718       0.17948718       0.32051282 1.0 
      0.18589744       0.18589744       0.31410256 1.0 
      0.19230769       0.19230769       0.30769231 1.0 
      0.19871795       0.19871795       0.30128205 1.0 
      0.20512821       0.20512821       0.29487179 1.0 
      0.21153846       0.21153846       0.28846154 1.0 
      0.21794872       0.21794872       0.28205128 1.0 
      0.22435897       0.22435897       0.27564103 1.0 
      0.23076923       0.23076923       0.26923077 1.0 
      0.23717949       0.23717949       0.26282051 1.0 
      0.24358974       0.24358974       0.25641026 1.0 
      0.25000000       0.25000000       0.25000000 1.0 

