iterations/neb0_image08_iter12_OSZICAR.out output for 43: 3.6A-->1.6A 715(amd-3) Si-CH2H...H2HC-Si two dimer closed (TSS)
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.151184950297E+04 0.15118E+04 -0.43580E+04 322 0.697E+02
DAV: 2 0.253583575092E+03 -0.12583E+04 -0.11802E+04 420 0.164E+02
DAV: 3 -0.357897962823E+03 -0.61148E+03 -0.60710E+03 356 0.117E+02
DAV: 4 -0.433175859660E+03 -0.75278E+02 -0.74941E+02 308 0.517E+01
DAV: 5 -0.434902364133E+03 -0.17265E+01 -0.17233E+01 332 0.796E+00 0.429E+01
DAV: 6 -0.388587319436E+03 0.46315E+02 -0.14993E+02 324 0.286E+01 0.209E+01
DAV: 7 -0.385030130924E+03 0.35572E+01 -0.12874E+01 340 0.781E+00 0.104E+01
DAV: 8 -0.383601873029E+03 0.14283E+01 -0.25216E+00 332 0.396E+00 0.426E+00
DAV: 9 -0.383049816953E+03 0.55206E+00 -0.61061E-01 324 0.195E+00 0.969E-01
DAV: 10 -0.382990787683E+03 0.59029E-01 -0.14363E-01 332 0.967E-01 0.749E-01
DAV: 11 -0.382973302495E+03 0.17485E-01 -0.43546E-02 356 0.514E-01 0.717E-01
DAV: 12 -0.382964282046E+03 0.90204E-02 -0.74980E-02 324 0.335E-01 0.475E-01
DAV: 13 -0.382952164165E+03 0.12118E-01 -0.40426E-02 308 0.369E-01 0.331E-01
DAV: 14 -0.382953252984E+03 -0.10888E-02 -0.39153E-02 364 0.299E-01 0.302E-01
DAV: 15 -0.382953680440E+03 -0.42746E-03 -0.17485E-02 292 0.258E-01 0.257E-01
DAV: 16 -0.382967975798E+03 -0.14295E-01 -0.95657E-03 292 0.251E-01 0.241E-01
DAV: 17 -0.382978668798E+03 -0.10693E-01 -0.12330E-02 308 0.212E-01 0.196E-01
DAV: 18 -0.382984216049E+03 -0.55473E-02 -0.28144E-03 324 0.116E-01 0.775E-02
DAV: 19 -0.382991142943E+03 -0.69269E-02 -0.61671E-04 276 0.587E-02 0.732E-02
DAV: 20 -0.382995987859E+03 -0.48449E-02 -0.73433E-04 372 0.486E-02 0.344E-02
DAV: 21 -0.383002701958E+03 -0.67141E-02 -0.43662E-04 300 0.442E-02 0.231E-02
DAV: 22 -0.383004610478E+03 -0.19085E-02 -0.87209E-05 316 0.204E-02 0.183E-02
DAV: 23 -0.383006528722E+03 -0.19182E-02 -0.10299E-04 300 0.198E-02 0.116E-02
DAV: 24 -0.383007521887E+03 -0.99316E-03 -0.43764E-05 284 0.131E-02 0.641E-03
DAV: 25 -0.383007790356E+03 -0.26847E-03 -0.10897E-05 220 0.787E-03 0.453E-03
DAV: 26 -0.383008120128E+03 -0.32977E-03 -0.13386E-05 212 0.647E-03 0.334E-03
DAV: 27 -0.383008224308E+03 -0.10418E-03 -0.33378E-06 228 0.364E-03 0.199E-03
DAV: 28 -0.383008327356E+03 -0.10305E-03 -0.45273E-06 204 0.391E-03 0.136E-03
DAV: 29 -0.383008344148E+03 -0.16791E-04 -0.10002E-06 228 0.218E-03 0.106E-03
DAV: 30 -0.383008365435E+03 -0.21288E-04 -0.12132E-06 212 0.285E-03 0.124E-03
DAV: 31 -0.383008375583E+03 -0.10147E-04 -0.53150E-07 220 0.185E-03 0.817E-04
DAV: 32 -0.383008378978E+03 -0.33954E-05 -0.30855E-07 228 0.130E-03
1 F= -.38300838E+03 E0= -.38302187E+03 d E =0.404751E-01