iterations/neb0_image07_iter20_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 0.150694911326E+04 0.15069E+04 -0.43560E+04 322 0.697E+02
DAV: 2 0.248563388858E+03 -0.12584E+04 -0.11841E+04 428 0.164E+02
DAV: 3 -0.359304846808E+03 -0.60787E+03 -0.60382E+03 356 0.117E+02
DAV: 4 -0.433088074273E+03 -0.73783E+02 -0.73470E+02 316 0.513E+01
DAV: 5 -0.434783492596E+03 -0.16954E+01 -0.16925E+01 340 0.788E+00 0.427E+01
DAV: 6 -0.388813581764E+03 0.45970E+02 -0.14994E+02 316 0.286E+01 0.209E+01
DAV: 7 -0.385303290924E+03 0.35103E+01 -0.12456E+01 332 0.771E+00 0.104E+01
DAV: 8 -0.383890449638E+03 0.14128E+01 -0.26840E+00 332 0.391E+00 0.432E+00
DAV: 9 -0.383333442779E+03 0.55701E+00 -0.72098E-01 332 0.198E+00 0.120E+00
DAV: 10 -0.383285543089E+03 0.47900E-01 -0.55963E-01 340 0.106E+00 0.775E-01
DAV: 11 -0.383260737365E+03 0.24806E-01 -0.31708E-02 316 0.481E-01 0.605E-01
DAV: 12 -0.383239353877E+03 0.21383E-01 -0.11148E-01 364 0.648E-01 0.749E-01
DAV: 13 -0.383227900042E+03 0.11454E-01 -0.66125E-02 340 0.401E-01 0.317E-01
DAV: 14 -0.383229196428E+03 -0.12964E-02 -0.18025E-02 300 0.256E-01 0.413E-01
DAV: 15 -0.383233833171E+03 -0.46367E-02 -0.43999E-02 324 0.318E-01 0.266E-01
DAV: 16 -0.383239550268E+03 -0.57171E-02 -0.64092E-03 300 0.215E-01 0.178E-01
DAV: 17 -0.383253669509E+03 -0.14119E-01 -0.19822E-02 308 0.255E-01 0.461E-01
DAV: 18 -0.383253486779E+03 0.18273E-03 -0.73660E-03 332 0.123E-01 0.222E-01
DAV: 19 -0.383260446614E+03 -0.69598E-02 -0.97604E-04 276 0.756E-02 0.103E-01
DAV: 20 -0.383269591100E+03 -0.91445E-02 -0.10646E-03 300 0.825E-02 0.745E-02
DAV: 21 -0.383275332760E+03 -0.57417E-02 -0.44960E-04 332 0.644E-02 0.317E-02
DAV: 22 -0.383279751487E+03 -0.44187E-02 -0.37218E-04 308 0.411E-02 0.274E-02
DAV: 23 -0.383282376299E+03 -0.26248E-02 -0.15305E-04 308 0.227E-02 0.136E-02
DAV: 24 -0.383283993505E+03 -0.16172E-02 -0.82699E-05 300 0.180E-02 0.102E-02
DAV: 25 -0.383284496218E+03 -0.50271E-03 -0.11186E-05 228 0.736E-03 0.829E-03
DAV: 26 -0.383285055143E+03 -0.55893E-03 -0.33369E-05 252 0.946E-03 0.375E-03
DAV: 27 -0.383285184197E+03 -0.12905E-03 -0.40633E-06 236 0.433E-03 0.395E-03
DAV: 28 -0.383285279098E+03 -0.94902E-04 -0.35495E-06 204 0.399E-03 0.317E-03
DAV: 29 -0.383285308381E+03 -0.29282E-04 -0.10554E-06 228 0.217E-03 0.145E-03
DAV: 30 -0.383285346448E+03 -0.38068E-04 -0.13719E-06 212 0.259E-03 0.727E-04
DAV: 31 -0.383285363106E+03 -0.16657E-04 -0.78677E-07 220 0.165E-03 0.865E-04
DAV: 32 -0.383285367970E+03 -0.48647E-05 -0.22505E-07 228 0.111E-03
1 F= -.38328537E+03 E0= -.38329852E+03 d E =0.394491E-01