! Pwscf input file created with ciftopw.py 
! Compound: Na2IrO3
&control
         calculation     = 'bands'
         prefix          = 'Na2IrO3'
         restart_mode    = 'from_scratch'
         outdir          = './'
         wf_collect      = .true.
         verbosity       = 'high'
       /
&system
         ibrav           =  14
         celldm(1)       =           10.2515829632988709
         celldm(2)       =            1.0000000000000000
         celldm(3)       =            1.0348569328489481
         celldm(4)       =            0.1631523360026451
         celldm(5)       =            0.1631523360026451
         celldm(6)       =           -0.4996136456342231
         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-05 
         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 
Ir 192.2170 Ir.rel-pbe-spn-rrkjus_psl.1.0.0.UPF 
ATOMIC_POSITIONS crystal
K_POINTS crystal
327
      0.00000000       0.00000000       0.00000000 1.0 
      0.00833548       0.00833548       0.00140736 1.0 
      0.01667096       0.01667096       0.00281471 1.0 
      0.02500644       0.02500644       0.00422207 1.0 
      0.03334192       0.03334192       0.00562943 1.0 
      0.04167740       0.04167740       0.00703678 1.0 
      0.05001288       0.05001288       0.00844414 1.0 
      0.05834836       0.05834836       0.00985150 1.0 
      0.06668384       0.06668384       0.01125886 1.0 
      0.07501932       0.07501932       0.01266621 1.0 
      0.08335480       0.08335480       0.01407357 1.0 
      0.09169028       0.09169028       0.01548093 1.0 
      0.10002576       0.10002576       0.01688828 1.0 
      0.10836124       0.10836124       0.01829564 1.0 
      0.11669672       0.11669672       0.01970300 1.0 
      0.12503220       0.12503220       0.02111035 1.0 
      0.13336768       0.13336768       0.02251771 1.0 
      0.14170317       0.14170317       0.02392507 1.0 
      0.15003865       0.15003865       0.02533242 1.0 
      0.15837413       0.15837413       0.02673978 1.0 
      0.16670961       0.16670961       0.02814714 1.0 
      0.17504509       0.17504509       0.02955449 1.0 
      0.18338057       0.18338057       0.03096185 1.0 
      0.19171605       0.19171605       0.03236921 1.0 
      0.20005153       0.20005153       0.03377657 1.0 
      0.20838701       0.20838701       0.03518392 1.0 
      0.21672249       0.21672249       0.03659128 1.0 
      0.22505797       0.22505797       0.03799864 1.0 
      0.23339345       0.23339345       0.03940599 1.0 
      0.24172893       0.24172893       0.04081335 1.0 
      0.25006441       0.25006441       0.04222071 1.0 
      0.25839989       0.25839989       0.04362806 1.0 
      0.26673537       0.26673537       0.04503542 1.0 
      0.27507085       0.27507085       0.04644278 1.0 
      0.28340633       0.28340633       0.04785013 1.0 
      0.29174181       0.29174181       0.04925749 1.0 
      0.30007729       0.30007729       0.05066485 1.0 
      0.30841277       0.30841277       0.05207220 1.0 
      0.31674825       0.31674825       0.05347956 1.0 
      0.32508373       0.32508373       0.05488692 1.0 
      0.33341921       0.33341921       0.05629428 1.0 
      0.33341921       0.33341921       0.05629428 1.0 
      0.33620249       0.33620249       0.07394829 1.0 
      0.33898577       0.33898577       0.09160231 1.0 
      0.34176905       0.34176905       0.10925633 1.0 
      0.34455232       0.34455232       0.12691035 1.0 
      0.34733560       0.34733560       0.14456437 1.0 
      0.35011888       0.35011888       0.16221839 1.0 
      0.35290216       0.35290216       0.17987241 1.0 
      0.35568544       0.35568544       0.19752643 1.0 
      0.35846871       0.35846871       0.21518045 1.0 
      0.36125199       0.36125199       0.23283447 1.0 
      0.36403527       0.36403527       0.25048849 1.0 
      0.36681855       0.36681855       0.26814251 1.0 
      0.36960183       0.36960183       0.28579653 1.0 
      0.37238510       0.37238510       0.30345055 1.0 
      0.37516838       0.37516838       0.32110457 1.0 
      0.37795166       0.37795166       0.33875859 1.0 
      0.38073494       0.38073494       0.35641261 1.0 
      0.38351822       0.38351822       0.37406662 1.0 
      0.38630149       0.38630149       0.39172064 1.0 
      0.38908477       0.38908477       0.40937466 1.0 
      0.39186805       0.39186805       0.42702868 1.0 
      0.39186805       0.39186805       0.42702868 1.0 
      0.38719214       0.38719214       0.43736993 1.0 
      0.38251624       0.38251624       0.44771118 1.0 
      0.37784033       0.37784033       0.45805243 1.0 
      0.37316442       0.37316442       0.46839367 1.0 
      0.36848851       0.36848851       0.47873492 1.0 
      0.36381261       0.36381261       0.48907617 1.0 
      0.35913670       0.35913670       0.49941741 1.0 
      0.35446079       0.35446079       0.50975866 1.0 
      0.34978489       0.34978489       0.52009991 1.0 
      0.34510898       0.34510898       0.53044116 1.0 
      0.34043307       0.34043307       0.54078240 1.0 
      0.33575717       0.33575717       0.55112365 1.0 
      0.33108126       0.33108126       0.56146490 1.0 
      0.32640535       0.32640535       0.57180615 1.0 
      0.32172944       0.32172944       0.58214739 1.0 
      0.31705354       0.31705354       0.59248864 1.0 
      0.31237763       0.31237763       0.60282989 1.0 
      0.30770172       0.30770172       0.61317114 1.0 
      0.30302582       0.30302582       0.62351238 1.0 
      0.29834991       0.29834991       0.63385363 1.0 
      0.29367400       0.29367400       0.64419488 1.0 
      0.28899810       0.28899810       0.65453612 1.0 
      0.28432219       0.28432219       0.66487737 1.0 
      0.27964628       0.27964628       0.67521862 1.0 
      0.27497037       0.27497037       0.68555987 1.0 
      0.27497037       0.27497037       0.68555987 1.0 
      0.26637755       0.26637755       0.67976112 1.0 
      0.25778473       0.25778473       0.67396238 1.0 
      0.24919190       0.24919190       0.66816363 1.0 
      0.24059908       0.24059908       0.66236488 1.0 
      0.23200625       0.23200625       0.65656614 1.0 
      0.22341343       0.22341343       0.65076739 1.0 
      0.21482061       0.21482061       0.64496865 1.0 
      0.20622778       0.20622778       0.63916990 1.0 
      0.19763496       0.19763496       0.63337115 1.0 
      0.18904213       0.18904213       0.62757241 1.0 
      0.18044931       0.18044931       0.62177366 1.0 
      0.17185648       0.17185648       0.61597492 1.0 
      0.16326366       0.16326366       0.61017617 1.0 
      0.15467084       0.15467084       0.60437743 1.0 
      0.14607801       0.14607801       0.59857868 1.0 
      0.13748519       0.13748519       0.59277993 1.0 
      0.12889236       0.12889236       0.58698119 1.0 
      0.12029954       0.12029954       0.58118244 1.0 
      0.11170671       0.11170671       0.57538370 1.0 
      0.10311389       0.10311389       0.56958495 1.0 
      0.09452107       0.09452107       0.56378620 1.0 
      0.08592824       0.08592824       0.55798746 1.0 
      0.07733542       0.07733542       0.55218871 1.0 
      0.06874259       0.06874259       0.54638997 1.0 
      0.06014977       0.06014977       0.54059122 1.0 
      0.05155695       0.05155695       0.53479248 1.0 
      0.04296412       0.04296412       0.52899373 1.0 
      0.03437130       0.03437130       0.52319498 1.0 
      0.02577847       0.02577847       0.51739624 1.0 
      0.01718565       0.01718565       0.51159749 1.0 
      0.00859282       0.00859282       0.50579875 1.0 
      0.00000000       0.00000000       0.50000000 1.0 
      0.00000000       0.00000000       0.50000000 1.0 
      0.01470588      -0.01470588       0.50000000 1.0 
      0.02941176      -0.02941176       0.50000000 1.0 
      0.04411765      -0.04411765       0.50000000 1.0 
      0.05882353      -0.05882353       0.50000000 1.0 
      0.07352941      -0.07352941       0.50000000 1.0 
      0.08823529      -0.08823529       0.50000000 1.0 
      0.10294118      -0.10294118       0.50000000 1.0 
      0.11764706      -0.11764706       0.50000000 1.0 
      0.13235294      -0.13235294       0.50000000 1.0 
      0.14705882      -0.14705882       0.50000000 1.0 
      0.16176471      -0.16176471       0.50000000 1.0 
      0.17647059      -0.17647059       0.50000000 1.0 
      0.19117647      -0.19117647       0.50000000 1.0 
      0.20588235      -0.20588235       0.50000000 1.0 
      0.22058824      -0.22058824       0.50000000 1.0 
      0.23529412      -0.23529412       0.50000000 1.0 
      0.25000000      -0.25000000       0.50000000 1.0 
      0.26470588      -0.26470588       0.50000000 1.0 
      0.27941176      -0.27941176       0.50000000 1.0 
      0.29411765      -0.29411765       0.50000000 1.0 
      0.30882353      -0.30882353       0.50000000 1.0 
      0.32352941      -0.32352941       0.50000000 1.0 
      0.33823529      -0.33823529       0.50000000 1.0 
      0.35294118      -0.35294118       0.50000000 1.0 
      0.36764706      -0.36764706       0.50000000 1.0 
      0.38235294      -0.38235294       0.50000000 1.0 
      0.39705882      -0.39705882       0.50000000 1.0 
      0.41176471      -0.41176471       0.50000000 1.0 
      0.42647059      -0.42647059       0.50000000 1.0 
      0.44117647      -0.44117647       0.50000000 1.0 
      0.45588235      -0.45588235       0.50000000 1.0 
      0.47058824      -0.47058824       0.50000000 1.0 
      0.48529412      -0.48529412       0.50000000 1.0 
      0.50000000      -0.50000000       0.50000000 1.0 
      0.50000000      -0.50000000       0.50000000 1.0 
      0.50831784      -0.49168216       0.50561318 1.0 
      0.51663568      -0.48336432       0.51122636 1.0 
      0.52495353      -0.47504647       0.51683953 1.0 
      0.53327137      -0.46672863       0.52245271 1.0 
      0.54158921      -0.45841079       0.52806589 1.0 
      0.54990705      -0.45009295       0.53367907 1.0 
      0.55822490      -0.44177510       0.53929225 1.0 
      0.56654274      -0.43345726       0.54490543 1.0 
      0.57486058      -0.42513942       0.55051860 1.0 
      0.58317842      -0.41682158       0.55613178 1.0 
      0.59149627      -0.40850373       0.56174496 1.0 
      0.59981411      -0.40018589       0.56735814 1.0 
      0.60813195      -0.39186805       0.57297132 1.0 
      0.72502963      -0.27497037       0.31444013 1.0 
      0.72224635      -0.27775365       0.29678611 1.0 
      0.71946307      -0.28053693       0.27913209 1.0 
      0.71667979      -0.28332021       0.26147807 1.0 
      0.71389651      -0.28610349       0.24382406 1.0 
      0.71111324      -0.28888676       0.22617004 1.0 
      0.70832996      -0.29167004       0.20851602 1.0 
      0.70554668      -0.29445332       0.19086200 1.0 
      0.70276340      -0.29723660       0.17320798 1.0 
      0.69998012      -0.30001988       0.15555396 1.0 
      0.69719685      -0.30280315       0.13789994 1.0 
      0.69441357      -0.30558643       0.12024592 1.0 
      0.69163029      -0.30836971       0.10259190 1.0 
      0.68884701      -0.31115299       0.08493788 1.0 
      0.68606373      -0.31393627       0.06728386 1.0 
      0.68328046      -0.31671954       0.04962984 1.0 
      0.68049718      -0.31950282       0.03197582 1.0 
      0.67771390      -0.32228610       0.01432180 1.0 
      0.67493062      -0.32506938      -0.00333222 1.0 
      0.67214734      -0.32785266      -0.02098624 1.0 
      0.66936407      -0.33063593      -0.03864026 1.0 
      0.66658079      -0.33341921      -0.05629428 1.0 
      0.66658079      -0.33341921      -0.05629428 1.0 
      0.65900893      -0.34099107      -0.05373544 1.0 
      0.65143708      -0.34856292      -0.05117661 1.0 
      0.64386523      -0.35613477      -0.04861778 1.0 
      0.63629337      -0.36370663      -0.04605895 1.0 
      0.62872152      -0.37127848      -0.04350012 1.0 
      0.62114966      -0.37885034      -0.04094129 1.0 
      0.61357781      -0.38642219      -0.03838246 1.0 
      0.60600596      -0.39399404      -0.03582363 1.0 
      0.59843410      -0.40156590      -0.03326480 1.0 
      0.59086225      -0.40913775      -0.03070597 1.0 
      0.58329039      -0.41670961      -0.02814714 1.0 
      0.57571854      -0.42428146      -0.02558831 1.0 
      0.56814669      -0.43185331      -0.02302948 1.0 
      0.56057483      -0.43942517      -0.02047065 1.0 
      0.55300298      -0.44699702      -0.01791181 1.0 
      0.54543112      -0.45456888      -0.01535298 1.0 
      0.53785927      -0.46214073      -0.01279415 1.0 
      0.53028742      -0.46971258      -0.01023532 1.0 
      0.52271556      -0.47728444      -0.00767649 1.0 
      0.51514371      -0.48485629      -0.00511766 1.0 
      0.50757185      -0.49242815      -0.00255883 1.0 
      0.50000000      -0.50000000       0.00000000 1.0 
      0.50000000      -0.50000000       0.00000000 1.0 
      0.48529412      -0.48529412       0.00000000 1.0 
      0.47058824      -0.47058824       0.00000000 1.0 
      0.45588235      -0.45588235       0.00000000 1.0 
      0.44117647      -0.44117647       0.00000000 1.0 
      0.42647059      -0.42647059       0.00000000 1.0 
      0.41176471      -0.41176471       0.00000000 1.0 
      0.39705882      -0.39705882       0.00000000 1.0 
      0.38235294      -0.38235294       0.00000000 1.0 
      0.36764706      -0.36764706       0.00000000 1.0 
      0.35294118      -0.35294118       0.00000000 1.0 
      0.33823529      -0.33823529       0.00000000 1.0 
      0.32352941      -0.32352941       0.00000000 1.0 
      0.30882353      -0.30882353       0.00000000 1.0 
      0.29411765      -0.29411765       0.00000000 1.0 
      0.27941176      -0.27941176       0.00000000 1.0 
      0.26470588      -0.26470588       0.00000000 1.0 
      0.25000000      -0.25000000       0.00000000 1.0 
      0.23529412      -0.23529412       0.00000000 1.0 
      0.22058824      -0.22058824       0.00000000 1.0 
      0.20588235      -0.20588235       0.00000000 1.0 
      0.19117647      -0.19117647       0.00000000 1.0 
      0.17647059      -0.17647059       0.00000000 1.0 
      0.16176471      -0.16176471       0.00000000 1.0 
      0.14705882      -0.14705882       0.00000000 1.0 
      0.13235294      -0.13235294       0.00000000 1.0 
      0.11764706      -0.11764706       0.00000000 1.0 
      0.10294118      -0.10294118       0.00000000 1.0 
      0.08823529      -0.08823529       0.00000000 1.0 
      0.07352941      -0.07352941       0.00000000 1.0 
      0.05882353      -0.05882353       0.00000000 1.0 
      0.04411765      -0.04411765       0.00000000 1.0 
      0.02941176      -0.02941176       0.00000000 1.0 
      0.01470588      -0.01470588       0.00000000 1.0 
      0.00000000       0.00000000       0.00000000 1.0 
      0.00000000       0.00000000       0.00000000 1.0 
      0.01428571       0.00000000       0.00000000 1.0 
      0.02857143       0.00000000       0.00000000 1.0 
      0.04285714       0.00000000       0.00000000 1.0 
      0.05714286       0.00000000       0.00000000 1.0 
      0.07142857       0.00000000       0.00000000 1.0 
      0.08571429       0.00000000       0.00000000 1.0 
      0.10000000       0.00000000       0.00000000 1.0 
      0.11428571       0.00000000       0.00000000 1.0 
      0.12857143       0.00000000       0.00000000 1.0 
      0.14285714       0.00000000       0.00000000 1.0 
      0.15714286       0.00000000       0.00000000 1.0 
      0.17142857       0.00000000       0.00000000 1.0 
      0.18571429       0.00000000       0.00000000 1.0 
      0.20000000       0.00000000       0.00000000 1.0 
      0.21428571      -0.00000000       0.00000000 1.0 
      0.22857143       0.00000000       0.00000000 1.0 
      0.24285714       0.00000000       0.00000000 1.0 
      0.25714286       0.00000000       0.00000000 1.0 
      0.27142857       0.00000000       0.00000000 1.0 
      0.28571429       0.00000000       0.00000000 1.0 
      0.30000000       0.00000000       0.00000000 1.0 
      0.31428571       0.00000000       0.00000000 1.0 
      0.32857143       0.00000000       0.00000000 1.0 
      0.34285714       0.00000000       0.00000000 1.0 
      0.35714286       0.00000000       0.00000000 1.0 
      0.37142857       0.00000000       0.00000000 1.0 
      0.38571429       0.00000000       0.00000000 1.0 
      0.40000000       0.00000000       0.00000000 1.0 
      0.41428571       0.00000000       0.00000000 1.0 
      0.42857143      -0.00000000       0.00000000 1.0 
      0.44285714      -0.00000000       0.00000000 1.0 
      0.45714286       0.00000000       0.00000000 1.0 
      0.47142857       0.00000000       0.00000000 1.0 
      0.48571429       0.00000000       0.00000000 1.0 
      0.50000000       0.00000000       0.00000000 1.0 
      0.50000000       0.00000000       0.50000000 1.0 
      0.48717949       0.00000000       0.48717949 1.0 
      0.47435897       0.00000000       0.47435897 1.0 
      0.46153846       0.00000000       0.46153846 1.0 
      0.44871795      -0.00000000       0.44871795 1.0 
      0.43589744       0.00000000       0.43589744 1.0 
      0.42307692       0.00000000       0.42307692 1.0 
      0.41025641       0.00000000       0.41025641 1.0 
      0.39743590       0.00000000       0.39743590 1.0 
      0.38461538      -0.00000000       0.38461538 1.0 
      0.37179487       0.00000000       0.37179487 1.0 
      0.35897436       0.00000000       0.35897436 1.0 
      0.34615385      -0.00000000       0.34615385 1.0 
      0.33333333       0.00000000       0.33333333 1.0 
      0.32051282      -0.00000000       0.32051282 1.0 
      0.30769231       0.00000000       0.30769231 1.0 
      0.29487179       0.00000000       0.29487179 1.0 
      0.28205128       0.00000000       0.28205128 1.0 
      0.26923077       0.00000000       0.26923077 1.0 
      0.25641026       0.00000000       0.25641026 1.0 
      0.24358974       0.00000000       0.24358974 1.0 
      0.23076923      -0.00000000       0.23076923 1.0 
      0.21794872       0.00000000       0.21794872 1.0 
      0.20512821      -0.00000000       0.20512821 1.0 
      0.19230769       0.00000000       0.19230769 1.0 
      0.17948718      -0.00000000       0.17948718 1.0 
      0.16666667       0.00000000       0.16666667 1.0 
      0.15384615       0.00000000       0.15384615 1.0 
      0.14102564       0.00000000       0.14102564 1.0 
      0.12820513       0.00000000       0.12820513 1.0 
      0.11538462      -0.00000000       0.11538462 1.0 
      0.10256410       0.00000000       0.10256410 1.0 
      0.08974359       0.00000000       0.08974359 1.0 
      0.07692308      -0.00000000       0.07692308 1.0 
      0.06410256      -0.00000000       0.06410256 1.0 
      0.05128205      -0.00000000       0.05128205 1.0 
      0.03846154       0.00000000       0.03846154 1.0 
      0.02564103      -0.00000000       0.02564103 1.0 
      0.01282051       0.00000000       0.01282051 1.0 
      0.00000000       0.00000000       0.00000000 1.0 

