iterations/neb0_image01_iter13_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 0.161676852400E+04 0.16168E+04 -0.42275E+04 306 0.697E+02
DAV: 2 0.296172372488E+03 -0.13206E+04 -0.12434E+04 420 0.168E+02
DAV: 3 -0.358074287080E+03 -0.65425E+03 -0.65069E+03 364 0.123E+02
DAV: 4 -0.433520503160E+03 -0.75446E+02 -0.75143E+02 308 0.519E+01
DAV: 5 -0.435230954317E+03 -0.17105E+01 -0.17076E+01 332 0.797E+00 0.427E+01
DAV: 6 -0.389145859551E+03 0.46085E+02 -0.15044E+02 308 0.286E+01 0.208E+01
DAV: 7 -0.385619168290E+03 0.35267E+01 -0.12441E+01 340 0.768E+00 0.104E+01
DAV: 8 -0.384171847989E+03 0.14473E+01 -0.26241E+00 332 0.385E+00 0.432E+00
DAV: 9 -0.383601557306E+03 0.57029E+00 -0.80870E-01 324 0.202E+00 0.121E+00
DAV: 10 -0.383546675204E+03 0.54882E-01 -0.48431E-01 340 0.103E+00 0.804E-01
DAV: 11 -0.383518136128E+03 0.28539E-01 -0.32793E-02 316 0.486E-01 0.685E-01
DAV: 12 -0.383501006579E+03 0.17130E-01 -0.18379E-01 380 0.755E-01 0.835E-01
DAV: 13 -0.383483898981E+03 0.17108E-01 -0.43011E-02 308 0.411E-01 0.436E-01
DAV: 14 -0.383484900021E+03 -0.10010E-02 -0.92542E-03 316 0.265E-01 0.312E-01
DAV: 15 -0.383492359071E+03 -0.74590E-02 -0.17312E-02 364 0.223E-01 0.236E-01
DAV: 16 -0.383498699641E+03 -0.63406E-02 -0.48392E-03 308 0.176E-01 0.201E-01
DAV: 17 -0.383511959955E+03 -0.13260E-01 -0.31146E-03 284 0.176E-01 0.122E-01
DAV: 18 -0.383518709236E+03 -0.67493E-02 -0.17313E-03 316 0.979E-02 0.114E-01
DAV: 19 -0.383527408894E+03 -0.86997E-02 -0.18378E-03 284 0.809E-02 0.446E-02
DAV: 20 -0.383534230762E+03 -0.68219E-02 -0.52312E-04 316 0.490E-02 0.266E-02
DAV: 21 -0.383539129092E+03 -0.48983E-02 -0.25245E-04 300 0.326E-02 0.170E-02
DAV: 22 -0.383542935848E+03 -0.38068E-02 -0.22925E-04 316 0.291E-02 0.113E-02
DAV: 23 -0.383544238806E+03 -0.13030E-02 -0.64122E-05 292 0.179E-02 0.862E-03
DAV: 24 -0.383545068108E+03 -0.82930E-03 -0.39565E-05 276 0.143E-02 0.685E-03
DAV: 25 -0.383545343426E+03 -0.27532E-03 -0.14412E-05 236 0.102E-02 0.674E-03
DAV: 26 -0.383545435565E+03 -0.92139E-04 -0.56571E-06 236 0.702E-03 0.642E-03
DAV: 27 -0.383545405533E+03 0.30032E-04 -0.24530E-06 212 0.443E-03 0.700E-03
DAV: 28 -0.383545367433E+03 0.38100E-04 -0.21085E-06 204 0.478E-03 0.653E-03
DAV: 29 -0.383545409418E+03 -0.41986E-04 -0.18574E-05 236 0.129E-02 0.587E-03
DAV: 30 -0.383545533053E+03 -0.12363E-03 -0.21159E-05 276 0.114E-02 0.677E-03
DAV: 31 -0.383545539208E+03 -0.61552E-05 -0.32747E-06 244 0.533E-03
1 F= -.38354554E+03 E0= -.38355984E+03 d E =0.429062E-01