! Pwscf input file created with ciftopw.py 
! Compound: KHg2
&control
         calculation     = 'bands'
         prefix          = 'KHg2'
         restart_mode    = 'from_scratch'
         outdir          = './'
         wf_collect      = .true.
         verbosity       = 'high'
       /
&system
         ibrav           =  14
         celldm(1)       =           12.2886143648541371
         celldm(2)       =            1.0000000000000000
         celldm(3)       =            1.0000000000000000
         celldm(4)       =           -0.6851807731076540
         celldm(5)       =           -0.2242319618560021
         celldm(6)       =           -0.0905872650363440
         nat             =        6
         ntyp            =        2
         ecutwfc         =       43.00000000
         ecutrho         =      416.00000000
         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
Hg 200.5900 Hg.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
 K  39.0983 K.rel-pbe-spn-rrkjus_psl.1.0.0.UPF 
ATOMIC_POSITIONS crystal
K_POINTS crystal
307
      0.00000000       0.00000000       0.00000000 1.0 
     -0.00820841       0.00820841       0.00820841 1.0 
     -0.01641681       0.01641681       0.01641681 1.0 
     -0.02462522       0.02462522       0.02462522 1.0 
     -0.03283362       0.03283362       0.03283362 1.0 
     -0.04104203       0.04104203       0.04104203 1.0 
     -0.04925044       0.04925044       0.04925044 1.0 
     -0.05745884       0.05745884       0.05745884 1.0 
     -0.06566725       0.06566725       0.06566725 1.0 
     -0.07387565       0.07387565       0.07387565 1.0 
     -0.08208406       0.08208406       0.08208406 1.0 
     -0.09029247       0.09029247       0.09029247 1.0 
     -0.09850087       0.09850087       0.09850087 1.0 
     -0.10670928       0.10670928       0.10670928 1.0 
     -0.11491769       0.11491769       0.11491769 1.0 
     -0.12312609       0.12312609       0.12312609 1.0 
     -0.13133450       0.13133450       0.13133450 1.0 
     -0.13954290       0.13954290       0.13954290 1.0 
     -0.14775131       0.14775131       0.14775131 1.0 
     -0.15595972       0.15595972       0.15595972 1.0 
     -0.16416812       0.16416812       0.16416812 1.0 
     -0.17237653       0.17237653       0.17237653 1.0 
     -0.18058493       0.18058493       0.18058493 1.0 
     -0.18879334       0.18879334       0.18879334 1.0 
     -0.19700175       0.19700175       0.19700175 1.0 
     -0.20521015       0.20521015       0.20521015 1.0 
     -0.21341856       0.21341856       0.21341856 1.0 
     -0.22162696       0.22162696       0.22162696 1.0 
     -0.22983537       0.22983537       0.22983537 1.0 
     -0.23804378       0.23804378       0.23804378 1.0 
     -0.24625218       0.24625218       0.24625218 1.0 
     -0.25446059       0.25446059       0.25446059 1.0 
     -0.26266900       0.26266900       0.26266900 1.0 
     -0.27087740       0.27087740       0.27087740 1.0 
     -0.27908581       0.27908581       0.27908581 1.0 
     -0.28729421       0.28729421       0.28729421 1.0 
     -0.29550262       0.29550262       0.29550262 1.0 
     -0.30371103       0.30371103       0.30371103 1.0 
     -0.31191943       0.31191943       0.31191943 1.0 
     -0.32012784       0.32012784       0.32012784 1.0 
     -0.32833624       0.32833624       0.32833624 1.0 
     -0.33654465       0.33654465       0.33654465 1.0 
     -0.33654465       0.33654465       0.33654465 1.0 
     -0.32429822       0.32429822       0.34879108 1.0 
     -0.31205179       0.31205179       0.36103751 1.0 
     -0.29980536       0.29980536       0.37328394 1.0 
     -0.29980536       0.29980536       0.37328394 1.0 
     -0.28481510       0.28481510       0.37961974 1.0 
     -0.26982483       0.26982483       0.38595554 1.0 
     -0.25483456       0.25483456       0.39229135 1.0 
     -0.23984429       0.23984429       0.39862715 1.0 
     -0.22485402       0.22485402       0.40496295 1.0 
     -0.20986375       0.20986375       0.41129875 1.0 
     -0.19487349       0.19487349       0.41763456 1.0 
     -0.17988322       0.17988322       0.42397036 1.0 
     -0.16489295       0.16489295       0.43030616 1.0 
     -0.14990268       0.14990268       0.43664197 1.0 
     -0.13491241       0.13491241       0.44297777 1.0 
     -0.11992215       0.11992215       0.44931357 1.0 
     -0.10493188       0.10493188       0.45564938 1.0 
     -0.08994161       0.08994161       0.46198518 1.0 
     -0.07495134       0.07495134       0.46832098 1.0 
     -0.05996107       0.05996107       0.47465679 1.0 
     -0.04497080       0.04497080       0.48099259 1.0 
     -0.02998054       0.02998054       0.48732839 1.0 
     -0.01499027       0.01499027       0.49366420 1.0 
     -0.00000000      -0.00000000       0.50000000 1.0 
     -0.00000000       0.00000000       0.50000000 1.0 
      0.01388889       0.01388889       0.48611111 1.0 
      0.02777778       0.02777778       0.47222222 1.0 
      0.04166667       0.04166667       0.45833333 1.0 
      0.05555556       0.05555556       0.44444444 1.0 
      0.06944444       0.06944444       0.43055556 1.0 
      0.08333333       0.08333333       0.41666667 1.0 
      0.09722222       0.09722222       0.40277778 1.0 
      0.11111111       0.11111111       0.38888889 1.0 
      0.12500000       0.12500000       0.37500000 1.0 
      0.13888889       0.13888889       0.36111111 1.0 
      0.15277778       0.15277778       0.34722222 1.0 
      0.16666667       0.16666667       0.33333333 1.0 
      0.18055556       0.18055556       0.31944444 1.0 
      0.19444444       0.19444444       0.30555556 1.0 
      0.20833333       0.20833333       0.29166667 1.0 
      0.22222222       0.22222222       0.27777778 1.0 
      0.23611111       0.23611111       0.26388889 1.0 
      0.25000000       0.25000000       0.25000000 1.0 
      0.25000000       0.25000000       0.25000000 1.0 
      0.23750000       0.26250000       0.23750000 1.0 
      0.22500000       0.27500000       0.22500000 1.0 
      0.21250000       0.28750000       0.21250000 1.0 
      0.20000000       0.30000000       0.20000000 1.0 
      0.18750000       0.31250000       0.18750000 1.0 
      0.17500000       0.32500000       0.17500000 1.0 
      0.16250000       0.33750000       0.16250000 1.0 
      0.15000000       0.35000000       0.15000000 1.0 
      0.13750000       0.36250000       0.13750000 1.0 
      0.12500000       0.37500000       0.12500000 1.0 
      0.11250000       0.38750000       0.11250000 1.0 
      0.10000000       0.40000000       0.10000000 1.0 
      0.08750000       0.41250000       0.08750000 1.0 
      0.07500000       0.42500000       0.07500000 1.0 
      0.06250000       0.43750000       0.06250000 1.0 
      0.05000000       0.45000000       0.05000000 1.0 
      0.03750000       0.46250000       0.03750000 1.0 
      0.02500000       0.47500000       0.02500000 1.0 
      0.01250000       0.48750000       0.01250000 1.0 
      0.00000000       0.50000000       0.00000000 1.0 
      0.00000000       0.50000000       0.00000000 1.0 
      0.01602594       0.50778359      -0.01602594 1.0 
      0.03205187       0.51556718      -0.03205187 1.0 
      0.04807781       0.52335076      -0.04807781 1.0 
      0.06410374       0.53113435      -0.06410374 1.0 
      0.08012968       0.53891794      -0.08012968 1.0 
      0.09615561       0.54670153      -0.09615561 1.0 
      0.11218155       0.55448512      -0.11218155 1.0 
      0.12820749       0.56226870      -0.12820749 1.0 
      0.14423342       0.57005229      -0.14423342 1.0 
      0.16025936       0.57783588      -0.16025936 1.0 
      0.17628529       0.58561947      -0.17628529 1.0 
      0.19231123       0.59340306      -0.19231123 1.0 
      0.20833716       0.60118665      -0.20833716 1.0 
      0.22436310       0.60897023      -0.22436310 1.0 
      0.24038904       0.61675382      -0.24038904 1.0 
      0.25641497       0.62453741      -0.25641497 1.0 
      0.27244091       0.63232100      -0.27244091 1.0 
      0.28846684       0.64010459      -0.28846684 1.0 
      0.30449278       0.64788817      -0.30449278 1.0 
      0.32051871       0.65567176      -0.32051871 1.0 
      0.33654465       0.66345535      -0.33654465 1.0 
      0.33654465       0.66345535      -0.33654465 1.0 
      0.34471742       0.65528258      -0.34471742 1.0 
      0.35289018       0.64710982      -0.35289018 1.0 
      0.36106295       0.63893705      -0.36106295 1.0 
      0.36923572       0.63076428      -0.36923572 1.0 
      0.37740849       0.62259151      -0.37740849 1.0 
      0.38558125       0.61441875      -0.38558125 1.0 
      0.39375402       0.60624598      -0.39375402 1.0 
      0.40192679       0.59807321      -0.40192679 1.0 
      0.41009956       0.58990044      -0.41009956 1.0 
      0.41827232       0.58172768      -0.41827232 1.0 
      0.42644509       0.57355491      -0.42644509 1.0 
      0.43461786       0.56538214      -0.43461786 1.0 
      0.44279063       0.55720937      -0.44279063 1.0 
      0.45096339       0.54903661      -0.45096339 1.0 
      0.45913616       0.54086384      -0.45913616 1.0 
      0.46730893       0.53269107      -0.46730893 1.0 
      0.47548170       0.52451830      -0.47548170 1.0 
      0.48365446       0.51634554      -0.48365446 1.0 
      0.49182723       0.50817277      -0.49182723 1.0 
      0.50000000       0.50000000      -0.50000000 1.0 
      0.50000000       0.50000000      -0.50000000 1.0 
      0.48611111       0.48611111      -0.48611111 1.0 
      0.47222222       0.47222222      -0.47222222 1.0 
      0.45833333       0.45833333      -0.45833333 1.0 
      0.44444444       0.44444444      -0.44444444 1.0 
      0.43055556       0.43055556      -0.43055556 1.0 
      0.41666667       0.41666667      -0.41666667 1.0 
      0.40277778       0.40277778      -0.40277778 1.0 
      0.38888889       0.38888889      -0.38888889 1.0 
      0.37500000       0.37500000      -0.37500000 1.0 
      0.36111111       0.36111111      -0.36111111 1.0 
      0.34722222       0.34722222      -0.34722222 1.0 
      0.33333333       0.33333333      -0.33333333 1.0 
      0.31944444       0.31944444      -0.31944444 1.0 
      0.30555556       0.30555556      -0.30555556 1.0 
      0.29166667       0.29166667      -0.29166667 1.0 
      0.27777778       0.27777778      -0.27777778 1.0 
      0.26388889       0.26388889      -0.26388889 1.0 
      0.25000000       0.25000000      -0.25000000 1.0 
      0.23611111       0.23611111      -0.23611111 1.0 
      0.22222222       0.22222222      -0.22222222 1.0 
      0.20833333       0.20833333      -0.20833333 1.0 
      0.19444444       0.19444444      -0.19444444 1.0 
      0.18055556       0.18055556      -0.18055556 1.0 
      0.16666667       0.16666667      -0.16666667 1.0 
      0.15277778       0.15277778      -0.15277778 1.0 
      0.13888889       0.13888889      -0.13888889 1.0 
      0.12500000       0.12500000      -0.12500000 1.0 
      0.11111111       0.11111111      -0.11111111 1.0 
      0.09722222       0.09722222      -0.09722222 1.0 
      0.08333333       0.08333333      -0.08333333 1.0 
      0.06944444       0.06944444      -0.06944444 1.0 
      0.05555556       0.05555556      -0.05555556 1.0 
      0.04166667       0.04166667      -0.04166667 1.0 
      0.02777778       0.02777778      -0.02777778 1.0 
      0.01388889       0.01388889      -0.01388889 1.0 
      0.00000000       0.00000000       0.00000000 1.0 
      0.00000000       0.00000000       0.00000000 1.0 
      0.01286835      -0.01286835       0.01286835 1.0 
      0.02573671      -0.02573671       0.02573671 1.0 
      0.03860506      -0.03860506       0.03860506 1.0 
      0.05147341      -0.05147341       0.05147341 1.0 
      0.06434177      -0.06434177       0.06434177 1.0 
      0.07721012      -0.07721012       0.07721012 1.0 
      0.09007847      -0.09007847       0.09007847 1.0 
      0.10294683      -0.10294683       0.10294683 1.0 
      0.11581518      -0.11581518       0.11581518 1.0 
      0.12868353      -0.12868353       0.12868353 1.0 
      0.14155188      -0.14155188       0.14155188 1.0 
      0.15442024      -0.15442024       0.15442024 1.0 
      0.16728859      -0.16728859       0.16728859 1.0 
      0.18015694      -0.18015694       0.18015694 1.0 
      0.19302530      -0.19302530       0.19302530 1.0 
      0.20589365      -0.20589365       0.20589365 1.0 
      0.21876200      -0.21876200       0.21876200 1.0 
      0.23163036      -0.23163036       0.23163036 1.0 
      0.24449871      -0.24449871       0.24449871 1.0 
      0.25736706      -0.25736706       0.25736706 1.0 
      0.27023542      -0.27023542       0.27023542 1.0 
      0.28310377      -0.28310377       0.28310377 1.0 
      0.29597212      -0.29597212       0.29597212 1.0 
      0.30884048      -0.30884048       0.30884048 1.0 
      0.32170883      -0.32170883       0.32170883 1.0 
      0.33457718      -0.33457718       0.33457718 1.0 
      0.34744554      -0.34744554       0.34744554 1.0 
      0.36031389      -0.36031389       0.36031389 1.0 
      0.37318224      -0.37318224       0.37318224 1.0 
      0.38605060      -0.38605060       0.38605060 1.0 
      0.39891895      -0.39891895       0.39891895 1.0 
      0.41178730      -0.41178730       0.41178730 1.0 
      0.42465565      -0.42465565       0.42465565 1.0 
      0.43752401      -0.43752401       0.43752401 1.0 
      0.45039236      -0.45039236       0.45039236 1.0 
      0.46326071      -0.46326071       0.46326071 1.0 
      0.46326071      -0.46326071       0.46326071 1.0 
      0.46473029      -0.44473029       0.44473029 1.0 
      0.46619986      -0.42619986       0.42619986 1.0 
      0.46766943      -0.40766943       0.40766943 1.0 
      0.46913900      -0.38913900       0.38913900 1.0 
      0.47060857      -0.37060857       0.37060857 1.0 
      0.47207814      -0.35207814       0.35207814 1.0 
      0.47354771      -0.33354771       0.33354771 1.0 
      0.47501729      -0.31501729       0.31501729 1.0 
      0.47648686      -0.29648686       0.29648686 1.0 
      0.47795643      -0.27795643       0.27795643 1.0 
      0.47942600      -0.25942600       0.25942600 1.0 
      0.48089557      -0.24089557       0.24089557 1.0 
      0.48236514      -0.22236514       0.22236514 1.0 
      0.48383471      -0.20383471       0.20383471 1.0 
      0.48530429      -0.18530429       0.18530429 1.0 
      0.48677386      -0.16677386       0.16677386 1.0 
      0.48824343      -0.14824343       0.14824343 1.0 
      0.48971300      -0.12971300       0.12971300 1.0 
      0.49118257      -0.11118257       0.11118257 1.0 
      0.49265214      -0.09265214       0.09265214 1.0 
      0.49412171      -0.07412171       0.07412171 1.0 
      0.49559129      -0.05559129       0.05559129 1.0 
      0.49706086      -0.03706086       0.03706086 1.0 
      0.49853043      -0.01853043       0.01853043 1.0 
      0.50000000       0.00000000      -0.00000000 1.0 
      0.50000000       0.00000000      -0.00000000 1.0 
      0.49193548       0.00806452       0.00806452 1.0 
      0.48387097       0.01612903       0.01612903 1.0 
      0.47580645       0.02419355       0.02419355 1.0 
      0.46774194       0.03225806       0.03225806 1.0 
      0.45967742       0.04032258       0.04032258 1.0 
      0.45161290       0.04838710       0.04838710 1.0 
      0.44354839       0.05645161       0.05645161 1.0 
      0.43548387       0.06451613       0.06451613 1.0 
      0.42741935       0.07258065       0.07258065 1.0 
      0.41935484       0.08064516       0.08064516 1.0 
      0.41129032       0.08870968       0.08870968 1.0 
      0.40322581       0.09677419       0.09677419 1.0 
      0.39516129       0.10483871       0.10483871 1.0 
      0.38709677       0.11290323       0.11290323 1.0 
      0.37903226       0.12096774       0.12096774 1.0 
      0.37096774       0.12903226       0.12903226 1.0 
      0.36290323       0.13709677       0.13709677 1.0 
      0.35483871       0.14516129       0.14516129 1.0 
      0.34677419       0.15322581       0.15322581 1.0 
      0.33870968       0.16129032       0.16129032 1.0 
      0.33064516       0.16935484       0.16935484 1.0 
      0.32258065       0.17741935       0.17741935 1.0 
      0.31451613       0.18548387       0.18548387 1.0 
      0.30645161       0.19354839       0.19354839 1.0 
      0.29838710       0.20161290       0.20161290 1.0 
      0.29032258       0.20967742       0.20967742 1.0 
      0.28225806       0.21774194       0.21774194 1.0 
      0.27419355       0.22580645       0.22580645 1.0 
      0.26612903       0.23387097       0.23387097 1.0 
      0.25806452       0.24193548       0.24193548 1.0 
      0.25000000       0.25000000       0.25000000 1.0 
      0.29980536      -0.29980536       0.62671606 1.0 
      0.30797813      -0.30797813       0.61854330 1.0 
      0.31615090      -0.31615090       0.61037053 1.0 
      0.32432367      -0.32432367       0.60219776 1.0 
      0.33249643      -0.33249643       0.59402499 1.0 
      0.34066920      -0.34066920       0.58585223 1.0 
      0.34884197      -0.34884197       0.57767946 1.0 
      0.35701474      -0.35701474       0.56950669 1.0 
      0.36518750      -0.36518750       0.56133392 1.0 
      0.37336027      -0.37336027       0.55316116 1.0 
      0.38153304      -0.38153304       0.54498839 1.0 
      0.38970581      -0.38970581       0.53681562 1.0 
      0.39787857      -0.39787857       0.52864285 1.0 
      0.40605134      -0.40605134       0.52047009 1.0 
      0.41422411      -0.41422411       0.51229732 1.0 
      0.42239688      -0.42239688       0.50412455 1.0 
      0.43056964      -0.43056964       0.49595178 1.0 
      0.43874241      -0.43874241       0.48777902 1.0 
      0.44691518      -0.44691518       0.47960625 1.0 
      0.45508795      -0.45508795       0.47143348 1.0 
      0.46326071      -0.46326071       0.46326071 1.0 
      0.53673929       0.46326071      -0.46326071 1.0 
      0.52449286       0.47550714      -0.47550714 1.0 
      0.51224643       0.48775357      -0.48775357 1.0 
      0.50000000       0.50000000      -0.50000000 1.0 

