iterations/neb3_max1_image02_iter21_OSZICAR.out output for 564: 4940072_SO2_t_3990147
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.420322660521E+04 0.42032E+04 -0.25370E+05 9008 0.103E+03
DAV: 2 -0.107221040062E+03 -0.43104E+04 -0.39122E+04 11032 0.247E+02
DAV: 3 -0.427710787166E+03 -0.32049E+03 -0.29937E+03 10248 0.654E+01
DAV: 4 -0.436118117331E+03 -0.84073E+01 -0.83159E+01 10824 0.106E+01
DAV: 5 -0.436390166230E+03 -0.27205E+00 -0.27142E+00 11104 0.187E+00 0.976E+01
RMM: 6 -0.384894986877E+03 0.51495E+02 -0.11088E+02 9702 0.144E+01 0.722E+01
RMM: 7 -0.498353865126E+03 -0.11346E+03 -0.14736E+02 10082 0.133E+01 0.906E+01
RMM: 8 -0.486653894990E+03 0.11700E+02 -0.90468E+01 10236 0.118E+01 0.816E+01
RMM: 9 -0.484251056075E+03 0.24028E+01 -0.56117E+01 10281 0.825E+00 0.813E+01
RMM: 10 -0.388735760675E+03 0.95515E+02 -0.45934E+01 10339 0.823E+00 0.432E+01
RMM: 11 -0.376186369556E+03 0.12549E+02 -0.15265E+01 9873 0.505E+00 0.268E+01
RMM: 12 -0.374749276753E+03 0.14371E+01 -0.53296E+00 9927 0.307E+00 0.195E+01
RMM: 13 -0.374224968228E+03 0.52431E+00 -0.26145E+00 10254 0.205E+00 0.165E+01
RMM: 14 -0.374947425400E+03 -0.72246E+00 -0.10688E+00 10152 0.131E+00 0.114E+01
RMM: 15 -0.378757700940E+03 -0.38103E+01 -0.78859E-01 10233 0.115E+00 0.986E+00
RMM: 16 -0.385128784079E+03 -0.63711E+01 -0.16943E+00 11291 0.158E+00 0.102E+01
RMM: 17 -0.389683971330E+03 -0.45552E+01 -0.14168E+00 11263 0.141E+00 0.908E+00
RMM: 18 -0.391597440532E+03 -0.19135E+01 -0.43945E-01 10375 0.855E-01 0.765E+00
RMM: 19 -0.393287581296E+03 -0.16901E+01 -0.42396E-01 10796 0.802E-01 0.631E+00
RMM: 20 -0.396880482861E+03 -0.35929E+01 -0.89987E-01 11780 0.105E+00 0.621E+00
RMM: 21 -0.398973493993E+03 -0.20930E+01 -0.42061E-01 11205 0.722E-01 0.560E+00
RMM: 22 -0.404530983113E+03 -0.55575E+01 -0.20170E+00 13044 0.134E+00 0.904E+00
RMM: 23 -0.404344354796E+03 0.18663E+00 -0.23058E-01 10915 0.514E-01 0.474E+00
RMM: 24 -0.410232961061E+03 -0.58886E+01 -0.23185E+00 14072 0.134E+00 0.875E+00
RMM: 25 -0.411139764239E+03 -0.90680E+00 -0.50710E-01 12119 0.687E-01 0.572E+00
RMM: 26 -0.412293799809E+03 -0.11540E+01 -0.32352E-02 10393 0.229E-01 0.572E+00
RMM: 27 -0.411763961115E+03 0.52984E+00 -0.55847E-02 10682 0.273E-01 0.617E+00
RMM: 28 -0.411693491627E+03 0.70469E-01 -0.64034E-03 10216 0.122E-01 0.593E+00
RMM: 29 -0.411069023415E+03 0.62447E+00 -0.78089E-02 12630 0.300E-01 0.599E+00
RMM: 30 -0.410771654060E+03 0.29737E+00 -0.11773E-01 14188 0.397E-01 0.739E+00
RMM: 31 -0.410283986295E+03 0.48767E+00 -0.19907E-01 14995 0.498E-01 0.716E+00
RMM: 32 -0.409734752020E+03 0.54923E+00 -0.10770E-01 13977 0.406E-01 0.758E+00
RMM: 33 -0.411234552770E+03 -0.14998E+01 -0.14541E-01 13746 0.449E-01 0.666E+00
RMM: 34 -0.412416912170E+03 -0.11824E+01 -0.41418E-01 15642 0.658E-01 0.626E+00
RMM: 35 -0.413554457656E+03 -0.11375E+01 -0.29052E-01 15438 0.557E-01 0.565E+00
RMM: 36 -0.414656707093E+03 -0.11022E+01 -0.12409E-01 14248 0.390E-01 0.549E+00
RMM: 37 -0.415225607545E+03 -0.56890E+00 -0.96076E-02 13302 0.337E-01 0.378E+00
RMM: 38 -0.415510900320E+03 -0.28529E+00 -0.13081E-02 10782 0.137E-01 0.306E+00
RMM: 39 -0.415687432304E+03 -0.17653E+00 -0.80586E-03 10627 0.114E-01 0.274E+00
RMM: 40 -0.416095233154E+03 -0.40780E+00 -0.37556E-02 12967 0.239E-01 0.182E+00
RMM: 41 -0.416287028537E+03 -0.19180E+00 -0.26905E-02 12410 0.202E-01 0.127E+00
RMM: 42 -0.416424985827E+03 -0.13796E+00 -0.23777E-02 12236 0.188E-01 0.105E+00
RMM: 43 -0.416514641503E+03 -0.89656E-01 -0.68477E-03 10756 0.106E-01 0.103E+00
RMM: 44 -0.416620951687E+03 -0.10631E+00 -0.73410E-03 10976 0.101E-01 0.990E-01
RMM: 45 -0.416726618315E+03 -0.10567E+00 -0.13092E-02 11764 0.120E-01 0.117E+00
RMM: 46 -0.416753524012E+03 -0.26906E-01 -0.55395E-03 11049 0.758E-02 0.113E+00
RMM: 47 -0.416776974692E+03 -0.23451E-01 -0.45567E-03 11196 0.687E-02 0.271E+00
RMM: 48 -0.416661340400E+03 0.11563E+00 -0.31601E-03 10961 0.749E-02 0.131E+00
RMM: 49 -0.416790819360E+03 -0.12948E+00 -0.59538E-03 12181 0.923E-02 0.130E+00
RMM: 50 -0.416806165658E+03 -0.15346E-01 -0.34853E-03 11677 0.620E-02 0.127E+00
RMM: 51 -0.416875342564E+03 -0.69177E-01 -0.57387E-03 12171 0.735E-02 0.117E+00
RMM: 52 -0.416937601240E+03 -0.62259E-01 -0.47033E-03 11756 0.560E-02 0.122E+00
RMM: 53 -0.416978850567E+03 -0.41249E-01 -0.18711E-03 11177 0.452E-02 0.130E+00
RMM: 54 -0.416999249763E+03 -0.20399E-01 -0.10697E-03 10804 0.276E-02 0.132E+00
RMM: 55 -0.417003075179E+03 -0.38254E-02 -0.13769E-03 10847 0.263E-02 0.187E+00
RMM: 56 -0.416994994798E+03 0.80804E-02 -0.44962E-04 10608 0.315E-02 0.200E+00
RMM: 57 -0.416987613322E+03 0.73815E-02 -0.18365E-04 8761 0.153E-02 0.178E+00
RMM: 58 -0.416986243493E+03 0.13698E-02 -0.50208E-05 7343 0.836E-03 0.183E+00
RMM: 59 -0.417004968600E+03 -0.18725E-01 -0.73740E-04 9705 0.162E-02 0.192E+00
RMM: 60 -0.417006733697E+03 -0.17651E-02 -0.25831E-05 6668 0.602E-03 0.187E+00
RMM: 61 -0.417025893908E+03 -0.19160E-01 -0.22174E-03 12162 0.308E-02 0.151E+00
RMM: 62 -0.417066933896E+03 -0.41040E-01 -0.23414E-03 11953 0.297E-02 0.120E+00
RMM: 63 -0.417146453160E+03 -0.79519E-01 -0.16745E-02 14766 0.687E-02 0.103E+00
RMM: 64 -0.417180911247E+03 -0.34458E-01 -0.65556E-03 13101 0.439E-02 0.677E-01
RMM: 65 -0.417202373635E+03 -0.21462E-01 -0.39682E-03 12242 0.356E-02 0.483E-01
RMM: 66 -0.417204551051E+03 -0.21774E-02 -0.14645E-04 8544 0.153E-02 0.335E-01
RMM: 67 -0.417215128650E+03 -0.10578E-01 -0.12975E-03 11209 0.232E-02 0.240E-01
RMM: 68 -0.417219610557E+03 -0.44819E-02 -0.95775E-04 10239 0.192E-02 0.146E-01
RMM: 69 -0.417222308813E+03 -0.26983E-02 -0.53778E-04 8925 0.151E-02 0.459E-01
RMM: 70 -0.417224375486E+03 -0.20667E-02 -0.14798E-04 8001 0.154E-02 0.105E+00
RMM: 71 -0.417220318712E+03 0.40568E-02 -0.15487E-04 8256 0.204E-02 0.713E-01
RMM: 72 -0.417219012549E+03 0.13062E-02 -0.53723E-04 8629 0.141E-02 0.875E-02
RMM: 73 -0.417223352392E+03 -0.43398E-02 -0.31139E-04 8779 0.239E-02 0.162E-01
RMM: 74 -0.417223413580E+03 -0.61188E-04 -0.31781E-05 6823 0.463E-03 0.619E-02
RMM: 75 -0.417223866733E+03 -0.45315E-03 -0.11283E-05 6654 0.476E-03 0.462E-02
RMM: 76 -0.417224302553E+03 -0.43582E-03 -0.66250E-06 6279 0.284E-03 0.539E-02
RMM: 77 -0.417224591740E+03 -0.28919E-03 -0.50791E-06 5135 0.185E-03 0.613E-02
RMM: 78 -0.417224859571E+03 -0.26783E-03 -0.97692E-06 5293 0.214E-03 0.864E-02
RMM: 79 -0.417224872327E+03 -0.12756E-04 -0.18735E-06 4982 0.190E-03 0.719E-02
RMM: 80 -0.417224935649E+03 -0.63322E-04 -0.67375E-07 3446 0.103E-03 0.642E-02
RMM: 81 -0.417225035884E+03 -0.10024E-03 -0.31164E-06 4776 0.160E-03 0.647E-02
RMM: 82 -0.417225062041E+03 -0.26156E-04 -0.96525E-07 3688 0.111E-03 0.598E-02
RMM: 83 -0.417225070611E+03 -0.85704E-05 -0.58636E-07 3526 0.102E-03
1 F= -.45479520E+03 E0= -.45479672E+03 d E =0.455333E-02 mag= 0.0054