iterations/neb0_image02_iter39_OSZICAR.out output for 564: 4940072_SO2_t_3990147
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.422795152956E+04 0.42280E+04 -0.25387E+05 8992 0.103E+03
DAV: 2 -0.104292264712E+03 -0.43322E+04 -0.39279E+04 11024 0.248E+02
DAV: 3 -0.426688220317E+03 -0.32240E+03 -0.30129E+03 10216 0.657E+01
DAV: 4 -0.435182157825E+03 -0.84939E+01 -0.83954E+01 10792 0.107E+01
DAV: 5 -0.435473850809E+03 -0.29169E+00 -0.29094E+00 11248 0.194E+00 0.100E+02
RMM: 6 -0.388926958708E+03 0.46547E+02 -0.11028E+02 9699 0.145E+01 0.725E+01
RMM: 7 -0.796052853392E+03 -0.40713E+03 -0.43563E+02 11340 0.193E+01 0.148E+02
RMM: 8 -0.496963574175E+03 0.29909E+03 -0.11055E+02 10016 0.111E+01 0.911E+01
RMM: 9 -0.420563400491E+03 0.76400E+02 -0.67347E+01 10162 0.106E+01 0.588E+01
RMM: 10 -0.374925331250E+03 0.45638E+02 -0.38344E+01 10287 0.802E+00 0.311E+01
RMM: 11 -0.390787317475E+03 -0.15862E+02 -0.20239E+01 10378 0.521E+00 0.450E+01
RMM: 12 -0.376408957043E+03 0.14378E+02 -0.56335E+00 9933 0.328E+00 0.281E+01
RMM: 13 -0.373780983079E+03 0.26280E+01 -0.28595E+00 10210 0.227E+00 0.202E+01
RMM: 14 -0.374878758896E+03 -0.10978E+01 -0.15425E+00 10267 0.164E+00 0.131E+01
RMM: 15 -0.379883824561E+03 -0.50051E+01 -0.12215E+00 10453 0.143E+00 0.157E+01
RMM: 16 -0.382626249639E+03 -0.27424E+01 -0.14677E+00 10651 0.159E+00 0.129E+01
RMM: 17 -0.386184718484E+03 -0.35585E+01 -0.14382E+00 10854 0.148E+00 0.943E+00
RMM: 18 -0.391202717010E+03 -0.50180E+01 -0.14140E+00 11075 0.139E+00 0.746E+00
RMM: 19 -0.394380574887E+03 -0.31779E+01 -0.77088E-01 10681 0.108E+00 0.776E+00
RMM: 20 -0.397880737346E+03 -0.35002E+01 -0.12554E+00 11498 0.123E+00 0.760E+00
RMM: 21 -0.399409666359E+03 -0.15289E+01 -0.39833E-01 10733 0.708E-01 0.729E+00
RMM: 22 -0.401459412275E+03 -0.20497E+01 -0.55964E-01 11339 0.772E-01 0.742E+00
RMM: 23 -0.404793231269E+03 -0.33338E+01 -0.15411E+00 12657 0.117E+00 0.679E+00
RMM: 24 -0.407827828303E+03 -0.30346E+01 -0.11503E+00 12514 0.960E-01 0.509E+00
RMM: 25 -0.409675454638E+03 -0.18476E+01 -0.17378E-01 11014 0.406E-01 0.480E+00
RMM: 26 -0.410225172921E+03 -0.54972E+00 -0.34422E-02 10523 0.180E-01 0.479E+00
RMM: 27 -0.410235854442E+03 -0.10682E-01 -0.61677E-03 11234 0.715E-02 0.476E+00
RMM: 28 -0.410116564460E+03 0.11929E+00 -0.38971E-03 10276 0.718E-02 0.484E+00
RMM: 29 -0.410374048166E+03 -0.25748E+00 -0.10449E-01 15737 0.359E-01 0.531E+00
RMM: 30 -0.410142618238E+03 0.23143E+00 -0.11701E-01 15849 0.418E-01 0.602E+00
RMM: 31 -0.409324708384E+03 0.81791E+00 -0.90721E-02 15232 0.387E-01 0.694E+00
RMM: 32 -0.410138342379E+03 -0.81363E+00 -0.12019E-01 15321 0.455E-01 0.596E+00
RMM: 33 -0.412381005606E+03 -0.22427E+01 -0.64249E-01 17476 0.889E-01 0.640E+00
RMM: 34 -0.414246030963E+03 -0.18650E+01 -0.55005E-01 17354 0.765E-01 0.687E+00
RMM: 35 -0.414090579010E+03 0.15545E+00 -0.10520E-02 11589 0.149E-01 0.666E+00
RMM: 36 -0.414707931573E+03 -0.61735E+00 -0.31656E-02 13250 0.164E-01 0.877E+00
RMM: 37 -0.414352778560E+03 0.35515E+00 -0.20026E-03 10646 0.706E-02 0.875E+00
RMM: 38 -0.414301451184E+03 0.51327E-01 -0.16941E-03 10808 0.463E-02 0.870E+00
RMM: 39 -0.414351794929E+03 -0.50344E-01 -0.68960E-03 13062 0.834E-02 0.881E+00
RMM: 40 -0.414514873754E+03 -0.16308E+00 -0.93333E-03 14093 0.102E-01 0.914E+00
RMM: 41 -0.414786012850E+03 -0.27114E+00 -0.11125E-01 17470 0.330E-01 0.121E+01
RMM: 42 -0.414862288404E+03 -0.76276E-01 -0.61317E-02 16847 0.264E-01 0.152E+01
RMM: 43 -0.414577542389E+03 0.28475E+00 -0.77609E-03 13675 0.112E-01 0.154E+01
RMM: 44 -0.414442656288E+03 0.13489E+00 -0.10905E-02 13796 0.120E-01 0.154E+01
RMM: 45 -0.415369986715E+03 -0.92733E+00 -0.19624E-01 17605 0.452E-01 0.185E+01
RMM: 46 -0.417038103569E+03 -0.16681E+01 -0.25869E-01 17665 0.464E-01 0.202E+01
RMM: 47 -0.417357376925E+03 -0.31927E+00 -0.66203E-02 16243 0.228E-01 0.191E+01
RMM: 48 -0.418206817456E+03 -0.84944E+00 -0.48803E-02 15359 0.175E-01 0.194E+01
RMM: 49 -0.418645202801E+03 -0.43839E+00 -0.31996E-02 13956 0.140E-01 0.193E+01
RMM: 50 -0.418424427717E+03 0.22078E+00 -0.15363E-02 11478 0.894E-02 0.195E+01
RMM: 51 -0.417562285621E+03 0.86214E+00 -0.28292E-01 17694 0.528E-01 0.201E+01
RMM: 52 -0.417595587971E+03 -0.33302E-01 -0.74902E-03 11737 0.717E-02 0.202E+01
RMM: 53 -0.417663709016E+03 -0.68121E-01 -0.20734E-02 11169 0.902E-02 0.202E+01
RMM: 54 -0.417667079651E+03 -0.33706E-02 -0.49420E-03 9553 0.445E-02 0.202E+01
RMM: 55 -0.417815384958E+03 -0.14831E+00 -0.31147E-02 13917 0.113E-01 0.201E+01
RMM: 56 -0.418561676083E+03 -0.74629E+00 -0.16213E-01 17808 0.308E-01 0.209E+01
RMM: 57 -0.418667077180E+03 -0.10540E+00 -0.20324E-03 12405 0.371E-02 0.210E+01
RMM: 58 -0.418303797571E+03 0.36328E+00 -0.19272E-01 14809 0.241E-01 0.208E+01
RMM: 59 -0.418124037621E+03 0.17976E+00 -0.85533E-03 12149 0.541E-02 0.208E+01
RMM: 60 -0.418743025810E+03 -0.61899E+00 -0.27759E-02 17130 0.131E-01 0.207E+01
RMM: 61 -0.418828930154E+03 -0.85904E-01 -0.41522E-01 17910 0.424E-01 0.193E+01
RMM: 62 -0.419831894332E+03 -0.10030E+01 -0.33998E-01 17644 0.326E-01 0.192E+01
RMM: 63 -0.419821549787E+03 0.10345E-01 -0.14760E-03 11542 0.245E-02 0.192E+01
RMM: 64 -0.419764095323E+03 0.57454E-01 -0.16145E-02 13236 0.743E-02 0.193E+01
RMM: 65 -0.419759649956E+03 0.44454E-02 -0.56646E-04 8233 0.165E-02 0.192E+01
RMM: 66 -0.417102953776E+03 0.26567E+01 -0.10572E+00 17918 0.761E-01 0.214E+01
RMM: 67 -0.416793001882E+03 0.30995E+00 -0.93801E-02 17820 0.196E-01 0.214E+01
RMM: 68 -0.416774511560E+03 0.18490E-01 -0.18898E-03 11372 0.307E-02 0.214E+01
RMM: 69 -0.416745924728E+03 0.28587E-01 -0.36833E-03 11578 0.404E-02 0.214E+01
RMM: 70 -0.416901377861E+03 -0.15545E+00 -0.23641E-01 17766 0.301E-01 0.210E+01
RMM: 71 -0.417856272604E+03 -0.95489E+00 -0.55462E-01 17914 0.486E-01 0.224E+01
RMM: 72 -0.418088399869E+03 -0.23213E+00 -0.11006E-02 16825 0.100E-01 0.228E+01
RMM: 73 -0.417806958392E+03 0.28144E+00 -0.61167E-02 17022 0.165E-01 0.226E+01
RMM: 74 -0.417288462559E+03 0.51850E+00 -0.60994E-01 17916 0.500E-01 0.217E+01
RMM: 75 -0.416533349500E+03 0.75511E+00 -0.59343E-01 17920 0.535E-01 0.206E+01
RMM: 76 -0.412292071706E+03 0.42413E+01 -0.30387E+00 17920 0.132E+00 0.185E+01
RMM: 77 -0.412403457545E+03 -0.11139E+00 -0.24305E-01 17920 0.487E-01 0.153E+01
RMM: 78 -0.414461365846E+03 -0.20579E+01 -0.10462E+00 17918 0.638E-01 0.166E+01
RMM: 79 -0.414519610971E+03 -0.58245E-01 -0.15907E-01 17920 0.287E-01 0.157E+01
RMM: 80 -0.414319062219E+03 0.20055E+00 -0.37980E-01 17919 0.371E-01 0.154E+01
RMM: 81 -0.414057146384E+03 0.26192E+00 -0.10130E+00 17920 0.106E+00 0.709E+00
RMM: 82 -0.414028751167E+03 0.28395E-01 -0.23801E-01 17920 0.494E-01 0.657E+00
RMM: 83 -0.413288160643E+03 0.74059E+00 -0.43105E-01 17918 0.401E-01 0.609E+00
RMM: 84 -0.412218302768E+03 0.10699E+01 -0.27832E-01 17908 0.312E-01 0.581E+00
RMM: 85 -0.410634599388E+03 0.15837E+01 -0.44875E-01 17920 0.435E-01 0.579E+00
RMM: 86 -0.409366152050E+03 0.12684E+01 -0.46040E-01 17920 0.482E-01 0.568E+00
RMM: 87 -0.408786997244E+03 0.57915E+00 -0.77897E-02 17917 0.242E-01 0.576E+00
RMM: 88 -0.407794558322E+03 0.99244E+00 -0.18803E-01 17911 0.323E-01 0.589E+00
RMM: 89 -0.407706568489E+03 0.87990E-01 -0.31195E-02 16757 0.126E-01 0.603E+00
RMM: 90 -0.407787351254E+03 -0.80783E-01 -0.14165E-02 15473 0.833E-02 0.608E+00
RMM: 91 -0.408267661520E+03 -0.48031E+00 -0.69464E-02 17919 0.248E-01 0.607E+00
RMM: 92 -0.407626108395E+03 0.64155E+00 -0.14675E-01 17919 0.310E-01 0.653E+00
RMM: 93 -0.407498643820E+03 0.12746E+00 -0.81229E-03 15405 0.668E-02 0.660E+00
RMM: 94 -0.407426822766E+03 0.71821E-01 -0.23910E-03 11875 0.343E-02 0.665E+00
RMM: 95 -0.408035720664E+03 -0.60890E+00 -0.12319E-01 17684 0.230E-01 0.627E+00
RMM: 96 -0.410144710702E+03 -0.21090E+01 -0.77196E+00 17920 0.174E+00 0.595E+00
RMM: 97 -0.409784875205E+03 0.35984E+00 -0.42306E-01 17805 0.425E-01 0.600E+00
RMM: 98 -0.409962180875E+03 -0.17731E+00 -0.52084E-01 17704 0.469E-01 0.609E+00
RMM: 99 -0.409751445255E+03 0.21074E+00 -0.23492E-01 17513 0.323E-01 0.623E+00
RMM: 100 -0.409858361874E+03 -0.10692E+00 -0.26058E-01 17684 0.324E-01 0.624E+00
RMM: 101 -0.409982412263E+03 -0.12405E+00 -0.53586E-01 17919 0.572E-01 0.561E+00
RMM: 102 -0.409613813114E+03 0.36860E+00 -0.41427E-01 17832 0.440E-01 0.548E+00
RMM: 103 -0.409434398496E+03 0.17941E+00 -0.74840E-02 16335 0.186E-01 0.545E+00
RMM: 104 -0.409130040695E+03 0.30436E+00 -0.31108E-01 17633 0.361E-01 0.526E+00
RMM: 105 -0.408752364469E+03 0.37768E+00 -0.16586E-01 17119 0.268E-01 0.519E+00
RMM: 106 -0.403954043891E+03 0.47983E+01 -0.81863E+00 17918 0.190E+00 0.549E+00
RMM: 107 -0.404233071303E+03 -0.27903E+00 -0.18878E-01 17868 0.330E-01 0.564E+00
RMM: 108 -0.404219972193E+03 0.13099E-01 -0.58327E-02 17498 0.183E-01 0.577E+00
RMM: 109 -0.404085350069E+03 0.13462E+00 -0.46494E-02 16990 0.148E-01 0.588E+00
RMM: 110 -0.404151656293E+03 -0.66306E-01 -0.10133E-02 15293 0.806E-02 0.590E+00
RMM: 111 -0.404722888557E+03 -0.57123E+00 -0.37492E+00 17920 0.114E+00 0.572E+00
RMM: 112 -0.405160470454E+03 -0.43758E+00 -0.18042E-01 17920 0.387E-01 0.535E+00
RMM: 113 -0.407140520470E+03 -0.19801E+01 -0.81580E-01 17920 0.677E-01 0.524E+00
RMM: 114 -0.407961387253E+03 -0.82087E+00 -0.58506E-01 17920 0.584E-01 0.510E+00
RMM: 115 -0.407871859100E+03 0.89528E-01 -0.24193E-01 17914 0.397E-01 0.485E+00
RMM: 116 -0.411303210743E+03 -0.34314E+01 -0.48611E+00 17920 0.165E+00 0.124E+01
RMM: 117 -0.411191110219E+03 0.11210E+00 -0.15526E-01 17906 0.375E-01 0.104E+01
RMM: 118 -0.411177225101E+03 0.13885E-01 -0.50512E-02 17414 0.191E-01 0.982E+00
RMM: 119 -0.412122366990E+03 -0.94514E+00 -0.11642E+00 17920 0.796E-01 0.514E+00
RMM: 120 -0.414334513155E+03 -0.22121E+01 -0.35872E+00 17920 0.123E+00 0.397E+00
RMM: 121 -0.414764052381E+03 -0.42954E+00 -0.91015E-01 17920 0.620E-01 0.335E+00
RMM: 122 -0.415135447067E+03 -0.37139E+00 -0.10137E-01 17918 0.275E-01 0.311E+00
RMM: 123 -0.415415328050E+03 -0.27988E+00 -0.67352E-02 17912 0.232E-01 0.261E+00
RMM: 124 -0.415720989648E+03 -0.30566E+00 -0.51022E-02 17894 0.201E-01 0.200E+00
RMM: 125 -0.415976841868E+03 -0.25585E+00 -0.70636E-02 17885 0.194E-01 0.178E+00
RMM: 126 -0.416071153919E+03 -0.94312E-01 -0.47486E-02 17678 0.151E-01 0.214E+00
RMM: 127 -0.416082674428E+03 -0.11521E-01 -0.79224E-03 17067 0.861E-02 0.207E+00
RMM: 128 -0.416138121454E+03 -0.55447E-01 -0.82063E-03 16808 0.765E-02 0.184E+00
RMM: 129 -0.416227978453E+03 -0.89857E-01 -0.44507E-02 17701 0.142E-01 0.132E+00
RMM: 130 -0.416350342633E+03 -0.12236E+00 -0.24525E-02 17631 0.120E-01 0.995E-01
RMM: 131 -0.416459905138E+03 -0.10956E+00 -0.98366E-03 17515 0.100E-01 0.934E-01
RMM: 132 -0.416568390842E+03 -0.10849E+00 -0.16708E-02 17515 0.113E-01 0.794E-01
RMM: 133 -0.416681641726E+03 -0.11325E+00 -0.12023E-02 17203 0.100E-01 0.823E-01
RMM: 134 -0.416723081710E+03 -0.41440E-01 -0.58116E-03 16509 0.686E-02 0.718E-01
RMM: 135 -0.416751145141E+03 -0.28063E-01 -0.76408E-03 16598 0.675E-02 0.615E-01
RMM: 136 -0.416769537710E+03 -0.18393E-01 -0.64453E-03 16413 0.665E-02 0.584E-01
RMM: 137 -0.416781886507E+03 -0.12349E-01 -0.18940E-03 15076 0.416E-02 0.541E-01
RMM: 138 -0.416797167525E+03 -0.15281E-01 -0.62093E-03 16090 0.644E-02 0.525E-01
RMM: 139 -0.416836912708E+03 -0.39745E-01 -0.42030E-03 15767 0.552E-02 0.467E-01
RMM: 140 -0.416887967813E+03 -0.51055E-01 -0.15574E-03 13945 0.345E-02 0.411E-01
RMM: 141 -0.416911478166E+03 -0.23510E-01 -0.68695E-04 12187 0.212E-02 0.370E-01
RMM: 142 -0.416945501630E+03 -0.34023E-01 -0.69565E-04 12666 0.232E-02 0.304E-01
RMM: 143 -0.416967037016E+03 -0.21535E-01 -0.43221E-04 11429 0.168E-02 0.253E-01
RMM: 144 -0.417001437632E+03 -0.34401E-01 -0.11398E-03 13287 0.251E-02 0.236E-01
RMM: 145 -0.417029967215E+03 -0.28530E-01 -0.59210E-04 12796 0.199E-02 0.241E-01
RMM: 146 -0.417041219052E+03 -0.11252E-01 -0.39114E-04 11959 0.162E-02 0.211E-01
RMM: 147 -0.417043879855E+03 -0.26608E-02 -0.16086E-04 10145 0.107E-02 0.181E-01
RMM: 148 -0.417045492412E+03 -0.16126E-02 -0.17955E-04 10062 0.102E-02 0.153E-01
RMM: 149 -0.417046178056E+03 -0.68564E-03 -0.10063E-04 9099 0.765E-03 0.135E-01
RMM: 150 -0.417046581263E+03 -0.40321E-03 -0.98574E-05 8790 0.726E-03 0.119E-01
RMM: 151 -0.417045740412E+03 0.84085E-03 -0.20657E-05 7147 0.406E-03 0.115E-01
RMM: 152 -0.417045661878E+03 0.78533E-04 -0.38334E-05 7204 0.474E-03 0.103E-01
RMM: 153 -0.417045922325E+03 -0.26045E-03 -0.14076E-04 9227 0.797E-03 0.781E-02
RMM: 154 -0.417045862900E+03 0.59425E-04 -0.34399E-05 7383 0.466E-03 0.658E-02
RMM: 155 -0.417045955323E+03 -0.92423E-04 -0.61540E-05 7945 0.562E-03 0.476E-02
RMM: 156 -0.417045792195E+03 0.16313E-03 -0.56811E-05 7838 0.543E-03 0.299E-02
RMM: 157 -0.417046059247E+03 -0.26705E-03 -0.25661E-05 7117 0.411E-03 0.328E-02
RMM: 158 -0.417046326684E+03 -0.26744E-03 -0.57801E-06 6223 0.230E-03 0.233E-02
RMM: 159 -0.417046372204E+03 -0.45520E-04 -0.35313E-06 6049 0.187E-03 0.180E-02
RMM: 160 -0.417046422221E+03 -0.50017E-04 -0.47571E-06 5764 0.190E-03 0.223E-02
RMM: 161 -0.417046747134E+03 -0.32491E-03 -0.20675E-05 6989 0.328E-03 0.162E-02
RMM: 162 -0.417046822242E+03 -0.75109E-04 -0.15711E-06 4875 0.147E-03 0.486E-03
RMM: 163 -0.417046921099E+03 -0.98857E-04 -0.94100E-07 4144 0.115E-03 0.347E-03
RMM: 164 -0.417047042220E+03 -0.12112E-03 -0.11246E-06 4152 0.112E-03 0.349E-03
RMM: 165 -0.417047138484E+03 -0.96263E-04 -0.97043E-07 3816 0.104E-03 0.342E-03
RMM: 166 -0.417047198487E+03 -0.60004E-04 -0.73645E-07 3474 0.970E-04 0.156E-03
RMM: 167 -0.417047232811E+03 -0.34324E-04 -0.66417E-07 3428 0.965E-04 0.199E-03
RMM: 168 -0.417047254397E+03 -0.21586E-04 -0.71828E-07 3601 0.976E-04 0.141E-03
RMM: 169 -0.417047257465E+03 -0.30673E-05 -0.60658E-07 3515 0.991E-04
1 F= -.45477149E+03 E0= -.45477170E+03 d E =0.607184E-03 mag= -0.0013