iterations/neb0_image01_iter19_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 0.161675746340E+04 0.16168E+04 -0.42275E+04 306 0.697E+02
DAV: 2 0.296250348096E+03 -0.13205E+04 -0.12433E+04 420 0.168E+02
DAV: 3 -0.358053178640E+03 -0.65430E+03 -0.65074E+03 364 0.123E+02
DAV: 4 -0.433523132260E+03 -0.75470E+02 -0.75167E+02 308 0.519E+01
DAV: 5 -0.435235023114E+03 -0.17119E+01 -0.17090E+01 332 0.797E+00 0.427E+01
DAV: 6 -0.389149808885E+03 0.46085E+02 -0.15048E+02 308 0.286E+01 0.208E+01
DAV: 7 -0.385619595198E+03 0.35302E+01 -0.12378E+01 340 0.767E+00 0.104E+01
DAV: 8 -0.384166310875E+03 0.14533E+01 -0.23368E+00 332 0.377E+00 0.432E+00
DAV: 9 -0.383609373324E+03 0.55694E+00 -0.12835E+00 324 0.213E+00 0.108E+00
DAV: 10 -0.383547110621E+03 0.62263E-01 -0.11379E-01 340 0.915E-01 0.788E-01
DAV: 11 -0.383508287678E+03 0.38823E-01 -0.76844E-02 324 0.688E-01 0.537E-01
DAV: 12 -0.383498125071E+03 0.10163E-01 -0.92207E-02 372 0.540E-01 0.798E-01
DAV: 13 -0.383490024326E+03 0.81007E-02 -0.12091E-01 324 0.371E-01 0.367E-01
DAV: 14 -0.383488300085E+03 0.17242E-02 -0.21095E-02 300 0.301E-01 0.319E-01
DAV: 15 -0.383490432674E+03 -0.21326E-02 -0.12735E-02 308 0.271E-01 0.224E-01
DAV: 16 -0.383495737654E+03 -0.53050E-02 -0.98407E-03 340 0.164E-01 0.154E-01
DAV: 17 -0.383507354959E+03 -0.11617E-01 -0.28030E-03 268 0.134E-01 0.837E-02
DAV: 18 -0.383521177862E+03 -0.13823E-01 -0.31781E-03 300 0.130E-01 0.145E-01
DAV: 19 -0.383527503466E+03 -0.63256E-02 -0.17164E-03 332 0.922E-02 0.520E-02
DAV: 20 -0.383533239322E+03 -0.57359E-02 -0.55779E-04 316 0.531E-02 0.691E-02
DAV: 21 -0.383537630910E+03 -0.43916E-02 -0.31410E-04 316 0.345E-02 0.346E-02
DAV: 22 -0.383542059610E+03 -0.44287E-02 -0.27431E-04 308 0.345E-02 0.263E-02
DAV: 23 -0.383544015000E+03 -0.19554E-02 -0.87141E-05 308 0.186E-02 0.174E-02
DAV: 24 -0.383544882719E+03 -0.86772E-03 -0.56787E-05 308 0.144E-02 0.745E-03
DAV: 25 -0.383545453498E+03 -0.57078E-03 -0.16423E-05 236 0.903E-03 0.611E-03
DAV: 26 -0.383545833274E+03 -0.37978E-03 -0.19031E-05 236 0.761E-03 0.381E-03
DAV: 27 -0.383545926961E+03 -0.93687E-04 -0.31527E-06 236 0.396E-03 0.245E-03
DAV: 28 -0.383546013023E+03 -0.86062E-04 -0.29950E-06 196 0.337E-03 0.208E-03
DAV: 29 -0.383546048190E+03 -0.35167E-04 -0.14674E-06 228 0.253E-03 0.229E-03
DAV: 30 -0.383546074723E+03 -0.26534E-04 -0.93646E-07 204 0.206E-03 0.145E-03
DAV: 31 -0.383546089227E+03 -0.14503E-04 -0.87681E-07 220 0.173E-03 0.815E-04
DAV: 32 -0.383546094411E+03 -0.51845E-05 -0.28106E-07 228 0.116E-03
1 F= -.38354609E+03 E0= -.38355911E+03 d E =0.390470E-01