iterations/neb1_max2_image05_iter31_OSZICAR.out output for 564: 4940072_SO2_t_3990147
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.422623770930E+04 0.42262E+04 -0.25390E+05 9000 0.103E+03
DAV: 2 -0.104461305905E+03 -0.43307E+04 -0.39288E+04 11016 0.248E+02
DAV: 3 -0.426408087981E+03 -0.32195E+03 -0.30161E+03 10224 0.656E+01
DAV: 4 -0.434935811492E+03 -0.85277E+01 -0.84219E+01 11024 0.107E+01
DAV: 5 -0.435226099442E+03 -0.29029E+00 -0.28942E+00 11136 0.191E+00 0.993E+01
RMM: 6 -0.377843425271E+03 0.57383E+02 -0.11485E+02 9687 0.145E+01 0.680E+01
RMM: 7 -0.525734872083E+03 -0.14789E+03 -0.18349E+02 10076 0.155E+01 0.951E+01
RMM: 8 -0.450339797586E+03 0.75395E+02 -0.82289E+01 10151 0.113E+01 0.671E+01
RMM: 9 -0.448395971118E+03 0.19438E+01 -0.43862E+01 10176 0.762E+00 0.678E+01
RMM: 10 -0.399390599371E+03 0.49005E+02 -0.45385E+01 10446 0.803E+00 0.453E+01
RMM: 11 -0.377917532125E+03 0.21473E+02 -0.80572E+00 9601 0.410E+00 0.272E+01
RMM: 12 -0.375736507609E+03 0.21810E+01 -0.55466E+00 10175 0.305E+00 0.219E+01
RMM: 13 -0.375549073101E+03 0.18743E+00 -0.23254E+00 10133 0.194E+00 0.137E+01
RMM: 14 -0.378070332687E+03 -0.25213E+01 -0.10947E+00 10222 0.129E+00 0.116E+01
RMM: 15 -0.382931838820E+03 -0.48615E+01 -0.11181E+00 10543 0.132E+00 0.116E+01
RMM: 16 -0.388431627753E+03 -0.54998E+01 -0.24019E+00 11497 0.181E+00 0.980E+00
RMM: 17 -0.394064338059E+03 -0.56327E+01 -0.16480E+00 11296 0.146E+00 0.844E+00
RMM: 18 -0.395041600266E+03 -0.97726E+00 -0.28450E-01 10139 0.694E-01 0.731E+00
RMM: 19 -0.397959147903E+03 -0.29175E+01 -0.75224E-01 11402 0.959E-01 0.672E+00
RMM: 20 -0.400156783759E+03 -0.21976E+01 -0.54198E-01 11406 0.789E-01 0.616E+00
RMM: 21 -0.400638809092E+03 -0.48203E+00 -0.61657E-02 10366 0.283E-01 0.592E+00
RMM: 22 -0.402251169804E+03 -0.16124E+01 -0.29095E-01 11779 0.543E-01 0.560E+00
RMM: 23 -0.405990426056E+03 -0.37393E+01 -0.15000E+00 14199 0.120E+00 0.495E+00
RMM: 24 -0.409604760354E+03 -0.36143E+01 -0.12090E+00 14225 0.104E+00 0.598E+00
RMM: 25 -0.411631496254E+03 -0.20267E+01 -0.62661E-01 13317 0.747E-01 0.606E+00
RMM: 26 -0.412471156294E+03 -0.83966E+00 -0.18471E-01 11581 0.419E-01 0.604E+00
RMM: 27 -0.412644219588E+03 -0.17306E+00 -0.10159E-02 10639 0.109E-01 0.606E+00
RMM: 28 -0.412409973435E+03 0.23425E+00 -0.17348E-02 10532 0.159E-01 0.574E+00
RMM: 29 -0.412246511947E+03 0.16346E+00 -0.37978E-02 11744 0.237E-01 0.530E+00
RMM: 30 -0.411906295681E+03 0.34022E+00 -0.15931E-01 14480 0.493E-01 0.461E+00
RMM: 31 -0.411861780533E+03 0.44515E-01 -0.12046E-01 14228 0.421E-01 0.606E+00
RMM: 32 -0.412150233524E+03 -0.28845E+00 -0.43528E-03 10175 0.965E-02 0.573E+00
RMM: 33 -0.412753700013E+03 -0.60347E+00 -0.82577E-01 17334 0.987E-01 0.534E+00
RMM: 34 -0.413109885415E+03 -0.35619E+00 -0.17013E-01 15815 0.450E-01 0.525E+00
RMM: 35 -0.414002779125E+03 -0.89289E+00 -0.98151E-02 14919 0.359E-01 0.339E+00
RMM: 36 -0.414468360036E+03 -0.46558E+00 -0.25450E-02 12365 0.194E-01 0.246E+00
RMM: 37 -0.414550062356E+03 -0.81702E-01 -0.28043E-03 10337 0.713E-02 0.232E+00
RMM: 38 -0.415221523148E+03 -0.67146E+00 -0.25523E-02 13947 0.220E-01 0.196E+00
RMM: 39 -0.415658988153E+03 -0.43747E+00 -0.27451E-02 14026 0.203E-01 0.140E+00
RMM: 40 -0.415988403040E+03 -0.32941E+00 -0.18739E-02 13266 0.160E-01 0.104E+00
RMM: 41 -0.416236928807E+03 -0.24853E+00 -0.11775E-02 12235 0.118E-01 0.799E-01
RMM: 42 -0.416475413507E+03 -0.23848E+00 -0.18270E-02 12590 0.141E-01 0.711E-01
RMM: 43 -0.416425235342E+03 0.50178E-01 -0.22341E-02 12941 0.144E-01 0.663E-01
RMM: 44 -0.416506498192E+03 -0.81263E-01 -0.65430E-03 11393 0.777E-02 0.579E-01
RMM: 45 -0.416592115764E+03 -0.85618E-01 -0.35912E-03 11109 0.593E-02 0.528E-01
RMM: 46 -0.416662875516E+03 -0.70760E-01 -0.11133E-02 12527 0.898E-02 0.367E-01
RMM: 47 -0.416828904540E+03 -0.16603E+00 -0.65091E-03 12076 0.760E-02 0.317E-01
RMM: 48 -0.416941075674E+03 -0.11217E+00 -0.31020E-03 11366 0.518E-02 0.306E-01
RMM: 49 -0.417009826359E+03 -0.68751E-01 -0.99381E-04 10765 0.295E-02 0.250E-01
RMM: 50 -0.417064416076E+03 -0.54590E-01 -0.69398E-04 10818 0.258E-02 0.196E-01
RMM: 51 -0.417089518546E+03 -0.25102E-01 -0.42758E-04 10865 0.205E-02 0.132E-01
RMM: 52 -0.417095305883E+03 -0.57873E-02 -0.16647E-04 10481 0.134E-02 0.902E-02
RMM: 53 -0.417096847317E+03 -0.15414E-02 -0.10195E-04 10213 0.103E-02 0.522E-02
RMM: 54 -0.417097906068E+03 -0.10588E-02 -0.44329E-05 8173 0.669E-03 0.420E-02
RMM: 55 -0.417098972663E+03 -0.10666E-02 -0.26080E-05 7500 0.494E-03 0.326E-02
RMM: 56 -0.417099048450E+03 -0.75788E-04 -0.20613E-05 7074 0.490E-03 0.218E-02
RMM: 57 -0.417099868174E+03 -0.81972E-03 -0.11279E-05 6768 0.373E-03 0.163E-02
RMM: 58 -0.417100176275E+03 -0.30810E-03 -0.81501E-06 6700 0.268E-03 0.958E-03
RMM: 59 -0.417100389556E+03 -0.21328E-03 -0.35508E-06 5445 0.176E-03 0.678E-03
RMM: 60 -0.417100718331E+03 -0.32877E-03 -0.35339E-06 6323 0.179E-03 0.190E-02
RMM: 61 -0.417100950949E+03 -0.23262E-03 -0.14014E-06 4052 0.111E-03 0.210E-02
RMM: 62 -0.417101035080E+03 -0.84131E-04 -0.42116E-07 3060 0.872E-04 0.160E-02
RMM: 63 -0.417101242187E+03 -0.20711E-03 -0.25051E-06 5469 0.150E-03 0.738E-03
RMM: 64 -0.417101356101E+03 -0.11391E-03 -0.13768E-06 4762 0.124E-03 0.127E-02
RMM: 65 -0.417101441046E+03 -0.84945E-04 -0.27043E-07 2895 0.831E-04 0.101E-02
RMM: 66 -0.417101542073E+03 -0.10103E-03 -0.53224E-07 3316 0.914E-04 0.408E-03
RMM: 67 -0.417101685133E+03 -0.14306E-03 -0.59078E-07 3498 0.931E-04 0.590E-03
RMM: 68 -0.417101739623E+03 -0.54490E-04 -0.26756E-07 2936 0.849E-04 0.242E-03
RMM: 69 -0.417101781225E+03 -0.41601E-04 -0.20504E-07 2756 0.820E-04 0.240E-03
RMM: 70 -0.417101816879E+03 -0.35654E-04 -0.26034E-07 2938 0.865E-04 0.151E-03
RMM: 71 -0.417101832816E+03 -0.15938E-04 -0.23343E-07 2817 0.880E-04 0.941E-04
RMM: 72 -0.417101847434E+03 -0.14617E-04 -0.18463E-07 2720 0.862E-04 0.102E-03
RMM: 73 -0.417101856400E+03 -0.89668E-05 -0.95688E-08 2483 0.817E-04
1 F= -.45482262E+03 E0= -.45482228E+03 d E =-.102199E-02 mag= -0.0005