./iterations/neb0_image08_iter2_OSZICAR.out output for 42: 3.3A-->1.3A 712(amd-3) Si-CH3H...HO-Si two dimer closed (TSS for CH3...OH)
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.163277886878E+04 0.16328E+04 -0.42285E+04 306 0.696E+02
DAV: 2 0.309779527894E+03 -0.13230E+04 -0.12446E+04 420 0.167E+02
DAV: 3 -0.355198330478E+03 -0.66498E+03 -0.66124E+03 356 0.124E+02
DAV: 4 -0.432091377562E+03 -0.76893E+02 -0.76592E+02 308 0.534E+01
DAV: 5 -0.433833495511E+03 -0.17421E+01 -0.17389E+01 332 0.828E+00 0.426E+01
DAV: 6 -0.387827554101E+03 0.46006E+02 -0.14844E+02 308 0.286E+01 0.208E+01
DAV: 7 -0.384326308546E+03 0.35012E+01 -0.12960E+01 356 0.800E+00 0.104E+01
DAV: 8 -0.382906718591E+03 0.14196E+01 -0.25752E+00 332 0.401E+00 0.424E+00
DAV: 9 -0.382337313542E+03 0.56941E+00 -0.65760E-01 332 0.208E+00 0.945E-01
DAV: 10 -0.382280101702E+03 0.57212E-01 -0.12490E-01 324 0.966E-01 0.693E-01
DAV: 11 -0.382253988022E+03 0.26114E-01 -0.67255E-02 332 0.540E-01 0.681E-01
DAV: 12 -0.382243826651E+03 0.10161E-01 -0.82017E-02 380 0.335E-01 0.415E-01
DAV: 13 -0.382227535787E+03 0.16291E-01 -0.32450E-02 308 0.472E-01 0.247E-01
DAV: 14 -0.382226773559E+03 0.76223E-03 -0.13960E-02 324 0.383E-01 0.192E-01
DAV: 15 -0.382238824314E+03 -0.12051E-01 -0.98478E-03 300 0.346E-01 0.103E-01
DAV: 16 -0.382250834753E+03 -0.12010E-01 -0.38551E-03 308 0.218E-01 0.878E-02
DAV: 17 -0.382259959941E+03 -0.91252E-02 -0.11856E-03 308 0.108E-01 0.665E-02
DAV: 18 -0.382267323966E+03 -0.73640E-02 -0.69109E-04 340 0.655E-02 0.314E-02
DAV: 19 -0.382274385158E+03 -0.70612E-02 -0.45136E-04 300 0.523E-02 0.259E-02
DAV: 20 -0.382276313263E+03 -0.19281E-02 -0.15512E-04 364 0.332E-02 0.251E-02
DAV: 21 -0.382276500828E+03 -0.18756E-03 -0.20050E-05 276 0.130E-02 0.252E-02
DAV: 22 -0.382276633166E+03 -0.13234E-03 -0.24642E-06 228 0.536E-03 0.258E-02
DAV: 23 -0.382276678873E+03 -0.45707E-04 -0.13513E-04 324 0.584E-02 0.332E-02
DAV: 24 -0.382277414047E+03 -0.73517E-03 -0.11510E-04 284 0.214E-02 0.207E-02
DAV: 25 -0.382279697845E+03 -0.22838E-02 -0.13013E-04 284 0.251E-02 0.101E-02
DAV: 26 -0.382280906052E+03 -0.12082E-02 -0.60560E-05 300 0.158E-02 0.138E-02
DAV: 27 -0.382281594308E+03 -0.68826E-03 -0.24043E-05 244 0.123E-02 0.127E-02
DAV: 28 -0.382281903004E+03 -0.30870E-03 -0.22478E-05 276 0.122E-02 0.750E-03
DAV: 29 -0.382281987559E+03 -0.84555E-04 -0.30805E-06 236 0.586E-03 0.557E-03
DAV: 30 -0.382282145192E+03 -0.15763E-03 -0.48419E-06 212 0.569E-03 0.226E-03
DAV: 31 -0.382282239050E+03 -0.93857E-04 -0.36881E-06 228 0.372E-03 0.285E-03
DAV: 32 -0.382282271670E+03 -0.32620E-04 -0.14381E-06 228 0.320E-03 0.291E-03
DAV: 33 -0.382282300734E+03 -0.29065E-04 -0.11684E-06 212 0.283E-03 0.132E-03
DAV: 34 -0.382282310886E+03 -0.10151E-04 -0.74402E-07 220 0.226E-03 0.112E-03
DAV: 35 -0.382282312135E+03 -0.12492E-05 -0.28527E-07 244 0.136E-03
1 F= -.38228231E+03 E0= -.38229370E+03 d E =0.341537E-01