iterations/neb0_image03_iter47_OSZICAR.out output for 3: !!! 3.3A-->1.3A 709 (amd-9) Si-H2N...HCH2-Si two dimer (TSS)
Status:
terminated
N E dE d eps ncg rms rms(c)
DAV: 1 0.145033055514E+04 0.14503E+04 -0.44201E+04 330 0.697E+02
DAV: 2 0.228468916331E+03 -0.12219E+04 -0.11455E+04 426 0.163E+02
DAV: 3 -0.361836042534E+03 -0.59030E+03 -0.58714E+03 345 0.114E+02
DAV: 4 -0.433321898500E+03 -0.71486E+02 -0.71250E+02 309 0.512E+01
DAV: 5 -0.434935532093E+03 -0.16136E+01 -0.16108E+01 327 0.789E+00 0.427E+01
DAV: 6 -0.388717054077E+03 0.46218E+02 -0.14856E+02 309 0.287E+01 0.209E+01
DAV: 7 -0.385223962164E+03 0.34931E+01 -0.12696E+01 345 0.773E+00 0.104E+01
DAV: 8 -0.383759023215E+03 0.14649E+01 -0.16964E+00 327 0.361E+00 0.425E+00
DAV: 9 -0.383181311524E+03 0.57771E+00 -0.63102E-01 327 0.201E+00 0.129E+00
DAV: 10 -0.383151350094E+03 0.29961E-01 -0.55843E-01 354 0.988E-01 0.882E-01
DAV: 11 -0.383126309728E+03 0.25040E-01 -0.15730E-01 318 0.552E-01 0.962E-01
DAV: 12 -0.383105146398E+03 0.21163E-01 -0.19126E-01 345 0.428E-01 0.694E-01
DAV: 13 -0.383075135926E+03 0.30010E-01 -0.65682E-02 318 0.572E-01 0.319E-01
DAV: 14 -0.383072889697E+03 0.22462E-02 -0.15965E-02 336 0.366E-01 0.243E-01
DAV: 15 -0.383076476235E+03 -0.35865E-02 -0.41524E-03 318 0.206E-01 0.144E-01
DAV: 16 -0.383087291315E+03 -0.10815E-01 -0.29837E-03 291 0.203E-01 0.129E-01
DAV: 17 -0.383096775673E+03 -0.94844E-02 -0.59183E-03 318 0.200E-01 0.174E-01
DAV: 18 -0.383103107922E+03 -0.63322E-02 -0.21647E-03 318 0.130E-01 0.718E-02
DAV: 19 -0.383111487802E+03 -0.83799E-02 -0.11787E-03 309 0.799E-02 0.122E-01
DAV: 20 -0.383117206154E+03 -0.57184E-02 -0.48360E-04 354 0.652E-02 0.310E-02
DAV: 21 -0.383121196509E+03 -0.39904E-02 -0.22547E-04 309 0.363E-02 0.296E-02
DAV: 22 -0.383124029353E+03 -0.28328E-02 -0.10621E-04 291 0.225E-02 0.143E-02
DAV: 23 -0.383126983026E+03 -0.29537E-02 -0.16885E-04 291 0.222E-02 0.129E-02
DAV: 24 -0.383128012275E+03 -0.10292E-02 -0.49454E-05 300 0.129E-02 0.668E-03
DAV: 25 -0.383128434366E+03 -0.42209E-03 -0.13353E-05 237 0.791E-03 0.451E-03
DAV: 26 -0.383128768460E+03 -0.33409E-03 -0.12580E-05 228 0.644E-03 0.526E-03
DAV: 27 -0.383128849024E+03 -0.80564E-04 -0.32849E-06 228 0.432E-03 0.182E-03
DAV: 28 -0.383128920522E+03 -0.71498E-04 -0.24389E-06 210 0.323E-03 0.134E-03
DAV: 29 -0.383128955720E+03 -0.35199E-04 -0.13805E-06 219 0.211E-03 0.155E-03
DAV: 30 -0.383128974649E+03 -0.18928E-04 -0.74311E-07 228 0.200E-03 0.391E-04
DAV: 31 -0.383128985557E+03 -0.10909E-04 -0.62053E-07 219 0.157E-03 0.961E-04
DAV: 32 -0.383128986351E+03 -0.79369E-06 -0.14905E-07 237 0.806E-04
1 F= -.38312899E+03 E0= -.38314142E+03 d E =0.373118E-01