iterations/neb1_max2_image02_iter20_OSZICAR.out output for 564: 4940072_SO2_t_3990147
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.422919246732E+04 0.42292E+04 -0.25390E+05 9000 0.103E+03
DAV: 2 -0.102782909568E+03 -0.43320E+04 -0.39273E+04 10968 0.248E+02
DAV: 3 -0.426675176712E+03 -0.32389E+03 -0.30250E+03 10248 0.658E+01
DAV: 4 -0.435132712818E+03 -0.84575E+01 -0.83576E+01 10720 0.107E+01
DAV: 5 -0.435434096047E+03 -0.30138E+00 -0.30066E+00 11328 0.196E+00 0.997E+01
RMM: 6 -0.389090912597E+03 0.46343E+02 -0.11322E+02 9715 0.147E+01 0.735E+01
RMM: 7 -0.827059516922E+03 -0.43797E+03 -0.46896E+02 11426 0.198E+01 0.152E+02
RMM: 8 -0.495236228545E+03 0.33182E+03 -0.10878E+02 9954 0.111E+01 0.916E+01
RMM: 9 -0.434558732290E+03 0.60677E+02 -0.66494E+01 10154 0.106E+01 0.640E+01
RMM: 10 -0.374401327625E+03 0.60157E+02 -0.39351E+01 10337 0.807E+00 0.298E+01
RMM: 11 -0.387764343981E+03 -0.13363E+02 -0.18542E+01 10413 0.474E+00 0.445E+01
RMM: 12 -0.372880349494E+03 0.14884E+02 -0.49057E+00 9950 0.305E+00 0.244E+01
RMM: 13 -0.371483089754E+03 0.13973E+01 -0.19541E+00 10191 0.198E+00 0.166E+01
RMM: 14 -0.374098237650E+03 -0.26151E+01 -0.12090E+00 10184 0.147E+00 0.130E+01
RMM: 15 -0.380864069787E+03 -0.67658E+01 -0.17639E+00 10751 0.174E+00 0.150E+01
RMM: 16 -0.385338946328E+03 -0.44749E+01 -0.20288E+00 10985 0.176E+00 0.132E+01
RMM: 17 -0.388045543851E+03 -0.27066E+01 -0.12270E+00 10658 0.135E+00 0.101E+01
RMM: 18 -0.392075380654E+03 -0.40298E+01 -0.12395E+00 11034 0.131E+00 0.916E+00
RMM: 19 -0.394915057065E+03 -0.28397E+01 -0.82892E-01 10856 0.107E+00 0.715E+00
RMM: 20 -0.396965857216E+03 -0.20508E+01 -0.37004E-01 10513 0.715E-01 0.657E+00
RMM: 21 -0.398776909374E+03 -0.18111E+01 -0.39492E-01 11041 0.701E-01 0.673E+00
RMM: 22 -0.401480140884E+03 -0.27032E+01 -0.96477E-01 12172 0.101E+00 0.709E+00
RMM: 23 -0.404183162264E+03 -0.27030E+01 -0.10647E+00 12403 0.974E-01 0.577E+00
RMM: 24 -0.407496252437E+03 -0.33131E+01 -0.12108E+00 12745 0.995E-01 0.520E+00
RMM: 25 -0.409612168737E+03 -0.21159E+01 -0.49774E-01 11720 0.657E-01 0.483E+00
RMM: 26 -0.410577965040E+03 -0.96580E+00 -0.78941E-02 10648 0.277E-01 0.476E+00
RMM: 27 -0.410913682933E+03 -0.33572E+00 -0.28516E-02 10575 0.156E-01 0.479E+00
RMM: 28 -0.410979504394E+03 -0.65821E-01 -0.49820E-03 11311 0.613E-02 0.479E+00
RMM: 29 -0.410961082599E+03 0.18422E-01 -0.22138E-02 11410 0.188E-01 0.454E+00
RMM: 30 -0.411052134158E+03 -0.91052E-01 -0.27041E-01 16438 0.625E-01 0.545E+00
RMM: 31 -0.410674120690E+03 0.37801E+00 -0.21201E-01 15804 0.534E-01 0.654E+00
RMM: 32 -0.409682126876E+03 0.99199E+00 -0.22814E-01 15446 0.490E-01 0.783E+00
RMM: 33 -0.410337623122E+03 -0.65550E+00 -0.49503E-01 15661 0.670E-01 0.669E+00
RMM: 34 -0.411257209183E+03 -0.91959E+00 -0.71515E-01 17109 0.836E-01 0.610E+00
RMM: 35 -0.411900677412E+03 -0.64347E+00 -0.61566E-01 17413 0.829E-01 0.972E+00
RMM: 36 -0.413297525179E+03 -0.13968E+01 -0.17294E-02 11550 0.186E-01 0.974E+00
RMM: 37 -0.413420844209E+03 -0.12332E+00 -0.66711E-02 14595 0.268E-01 0.107E+01
RMM: 38 -0.412805636307E+03 0.61521E+00 -0.23231E-03 10534 0.752E-02 0.107E+01
RMM: 39 -0.412709391619E+03 0.96245E-01 -0.48267E-04 11079 0.288E-02 0.107E+01
RMM: 40 -0.412661008078E+03 0.48384E-01 -0.84196E-03 14152 0.927E-02 0.988E+00
RMM: 41 -0.412834264974E+03 -0.17326E+00 -0.47228E-03 12799 0.777E-02 0.980E+00
RMM: 42 -0.413169253291E+03 -0.33499E+00 -0.14214E-02 13617 0.102E-01 0.867E+00
RMM: 43 -0.413767143480E+03 -0.59789E+00 -0.41351E-02 16585 0.194E-01 0.750E+00
RMM: 44 -0.414214640801E+03 -0.44750E+00 -0.63048E-02 17162 0.231E-01 0.749E+00
RMM: 45 -0.413809275725E+03 0.40537E+00 -0.10037E-01 17417 0.284E-01 0.974E+00
RMM: 46 -0.413693238330E+03 0.11604E+00 -0.23075E-02 15528 0.167E-01 0.706E+00
RMM: 47 -0.413899343823E+03 -0.20611E+00 -0.77855E-02 16340 0.215E-01 0.729E+00
RMM: 48 -0.413973591183E+03 -0.74247E-01 -0.89758E-02 16533 0.230E-01 0.714E+00
RMM: 49 -0.413916670873E+03 0.56920E-01 -0.99029E-01 17544 0.639E-01 0.641E+00
RMM: 50 -0.413852041191E+03 0.64630E-01 -0.40597E-01 15990 0.385E-01 0.625E+00
RMM: 51 -0.411812464668E+03 0.20396E+01 -0.20433E+00 17755 0.953E-01 0.803E+00
RMM: 52 -0.411752416895E+03 0.60048E-01 -0.23630E-01 17651 0.449E-01 0.787E+00
RMM: 53 -0.411391448670E+03 0.36097E+00 -0.20803E-02 14887 0.136E-01 0.804E+00
RMM: 54 -0.411279867191E+03 0.11158E+00 -0.60941E-02 16141 0.206E-01 0.802E+00
RMM: 55 -0.410946839227E+03 0.33303E+00 -0.94276E-02 16977 0.265E-01 0.847E+00
RMM: 56 -0.410039418712E+03 0.90742E+00 -0.22887E-01 17603 0.421E-01 0.103E+01
RMM: 57 -0.409488343662E+03 0.55108E+00 -0.12303E-01 16653 0.282E-01 0.106E+01
RMM: 58 -0.409569591229E+03 -0.81248E-01 -0.49970E-03 12881 0.726E-02 0.109E+01
RMM: 59 -0.409661029059E+03 -0.91438E-01 -0.52462E-03 12907 0.716E-02 0.113E+01
RMM: 60 -0.409448477130E+03 0.21255E+00 -0.16741E-02 14180 0.113E-01 0.114E+01
RMM: 61 -0.410006777701E+03 -0.55830E+00 -0.73750E-02 16612 0.230E-01 0.120E+01
RMM: 62 -0.410518450716E+03 -0.51167E+00 -0.10107E-01 17334 0.301E-01 0.126E+01
RMM: 63 -0.410991273677E+03 -0.47282E+00 -0.36329E-02 14246 0.156E-01 0.139E+01
RMM: 64 -0.409850901671E+03 0.11404E+01 -0.12926E-01 14189 0.316E-01 0.140E+01
RMM: 65 -0.409829148880E+03 0.21753E-01 -0.10774E-03 10770 0.463E-02 0.139E+01
RMM: 66 -0.410799171539E+03 -0.97002E+00 -0.12375E-01 16693 0.282E-01 0.131E+01
RMM: 67 -0.410792907656E+03 0.62639E-02 -0.25341E-02 16266 0.180E-01 0.139E+01
RMM: 68 -0.410659498893E+03 0.13341E+00 -0.21682E-02 14765 0.151E-01 0.123E+01
RMM: 69 -0.412185358679E+03 -0.15259E+01 -0.41255E-01 16498 0.449E-01 0.124E+01
RMM: 70 -0.413450934343E+03 -0.12656E+01 -0.72584E-01 17196 0.547E-01 0.113E+01
RMM: 71 -0.414938351061E+03 -0.14874E+01 -0.63483E-01 17804 0.607E-01 0.138E+01
RMM: 72 -0.413942610306E+03 0.99574E+00 -0.18161E-01 17797 0.391E-01 0.978E+00
RMM: 73 -0.414403269957E+03 -0.46066E+00 -0.85242E-02 16680 0.245E-01 0.926E+00
RMM: 74 -0.414707727596E+03 -0.30446E+00 -0.12876E-01 16642 0.247E-01 0.859E+00
RMM: 75 -0.414977671618E+03 -0.26994E+00 -0.16009E-01 16158 0.252E-01 0.795E+00
RMM: 76 -0.415115576387E+03 -0.13790E+00 -0.99663E-02 15494 0.203E-01 0.748E+00
RMM: 77 -0.415152946907E+03 -0.37371E-01 -0.18438E-02 13469 0.911E-02 0.695E+00
RMM: 78 -0.415223857780E+03 -0.70911E-01 -0.12942E-02 12619 0.960E-02 0.736E+00
RMM: 79 -0.415133810063E+03 0.90048E-01 -0.21926E-03 11174 0.616E-02 0.737E+00
RMM: 80 -0.415143920316E+03 -0.10110E-01 -0.74786E-04 10499 0.325E-02 0.757E+00
RMM: 81 -0.415586619929E+03 -0.44270E+00 -0.40611E-01 17920 0.551E-01 0.451E+00
RMM: 82 -0.415990512570E+03 -0.40389E+00 -0.37685E-02 16993 0.197E-01 0.431E+00
RMM: 83 -0.415903737946E+03 0.86775E-01 -0.28156E-02 16410 0.124E-01 0.422E+00
RMM: 84 -0.415699274290E+03 0.20446E+00 -0.47237E-02 16615 0.140E-01 0.427E+00
RMM: 85 -0.415651592361E+03 0.47682E-01 -0.43948E-02 16270 0.137E-01 0.237E+00
RMM: 86 -0.415689789748E+03 -0.38197E-01 -0.84992E-02 16865 0.196E-01 0.188E+00
RMM: 87 -0.415641642203E+03 0.48148E-01 -0.30635E-03 13669 0.523E-02 0.186E+00
RMM: 88 -0.415625138271E+03 0.16504E-01 -0.56064E-04 10899 0.210E-02 0.185E+00
RMM: 89 -0.415621765097E+03 0.33732E-02 -0.31935E-05 7326 0.754E-03 0.185E+00
RMM: 90 -0.415618194731E+03 0.35704E-02 -0.54475E-04 10973 0.177E-02 0.184E+00
RMM: 91 -0.415663212619E+03 -0.45018E-01 -0.31909E-03 16107 0.519E-02 0.187E+00
RMM: 92 -0.415657102694E+03 0.61099E-02 -0.18156E-04 11361 0.156E-02 0.184E+00
RMM: 93 -0.415651532793E+03 0.55699E-02 -0.10509E-03 13390 0.247E-02 0.188E+00
RMM: 94 -0.415641494919E+03 0.10038E-01 -0.96107E-04 13812 0.247E-02 0.197E+00
RMM: 95 -0.415646588367E+03 -0.50934E-02 -0.16412E-05 7111 0.537E-03 0.197E+00
RMM: 96 -0.415616696515E+03 0.29892E-01 -0.54954E-04 13097 0.260E-02 0.198E+00
RMM: 97 -0.415599095823E+03 0.17601E-01 -0.46583E-05 8013 0.785E-03 0.197E+00
RMM: 98 -0.415596943084E+03 0.21527E-02 -0.40216E-04 11358 0.164E-02 0.197E+00
RMM: 99 -0.415596400064E+03 0.54302E-03 -0.42061E-04 11533 0.157E-02 0.197E+00
RMM: 100 -0.415593760493E+03 0.26396E-02 -0.12763E-04 9247 0.930E-03 0.200E+00
RMM: 101 -0.415598072958E+03 -0.43125E-02 -0.21252E-02 17513 0.114E-01 0.186E+00
RMM: 102 -0.415584685999E+03 0.13387E-01 -0.45154E-03 16270 0.565E-02 0.178E+00
RMM: 103 -0.415616403956E+03 -0.31718E-01 -0.10092E-02 16917 0.730E-02 0.159E+00
RMM: 104 -0.415673932380E+03 -0.57528E-01 -0.63152E-03 16678 0.599E-02 0.443E+00
RMM: 105 -0.415559893439E+03 0.11404E+00 -0.19782E-03 12801 0.681E-02 0.332E+00
RMM: 106 -0.415704911240E+03 -0.14502E+00 -0.53641E-02 16971 0.153E-01 0.505E+00
RMM: 107 -0.415780144444E+03 -0.75233E-01 -0.59925E-03 16233 0.119E-01 0.497E+00
RMM: 108 -0.415884102501E+03 -0.10396E+00 -0.44839E-03 15858 0.612E-02 0.502E+00
RMM: 109 -0.416183126163E+03 -0.29902E+00 -0.11959E-02 17075 0.857E-02 0.511E+00
RMM: 110 -0.416567767791E+03 -0.38464E+00 -0.21896E-02 17170 0.104E-01 0.823E+00
RMM: 111 -0.416492703262E+03 0.75065E-01 -0.48826E-03 15552 0.102E-01 0.818E+00
RMM: 112 -0.416766463562E+03 -0.27376E+00 -0.90715E-03 16421 0.708E-02 0.821E+00
RMM: 113 -0.417083252272E+03 -0.31679E+00 -0.65653E-03 16311 0.593E-02 0.827E+00
RMM: 114 -0.417010392972E+03 0.72859E-01 -0.23618E-03 14023 0.362E-02 0.820E+00
RMM: 115 -0.416856313987E+03 0.15408E+00 -0.26447E-03 14952 0.370E-02 0.812E+00
RMM: 116 -0.416342604560E+03 0.51371E+00 -0.17532E-02 17031 0.894E-02 0.529E+00
RMM: 117 -0.416382354336E+03 -0.39750E-01 -0.26425E-03 13206 0.807E-02 0.599E+00
RMM: 118 -0.416349290227E+03 0.33064E-01 -0.44243E-04 11975 0.234E-02 0.536E+00
RMM: 119 -0.416288380276E+03 0.60910E-01 -0.20246E-03 13802 0.448E-02 0.518E+00
RMM: 120 -0.416270492791E+03 0.17887E-01 -0.13342E-03 13631 0.331E-02 0.119E+00
RMM: 121 -0.416607275923E+03 -0.33678E+00 -0.15502E-02 16989 0.110E-01 0.806E+00
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RMM: 123 -0.416308347105E+03 0.19887E-01 -0.19154E-03 14539 0.525E-02 0.285E+00
RMM: 124 -0.416349133222E+03 -0.40786E-01 -0.12903E-03 13197 0.563E-02 0.744E-01
RMM: 125 -0.416381294698E+03 -0.32161E-01 -0.13913E-03 13497 0.479E-02 0.424E-01
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RMM: 128 -0.416398733927E+03 -0.51853E-02 -0.16757E-04 10007 0.113E-02 0.344E-01
RMM: 129 -0.416403077784E+03 -0.43439E-02 -0.16347E-04 9882 0.110E-02 0.337E-01
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RMM: 160 -0.416408968382E+03 -0.89725E-06 -0.15725E-07 2828 0.887E-04
1 F= -.45411115E+03 E0= -.45411130E+03 d E =0.458966E-03 mag= -0.0486