iterations/neb0_image05_iter62_OSZICAR.out output for 3: !!! 3.3A-->1.3A 709 (amd-9) Si-H2N...HCH2-Si two dimer (TSS)
Status:
terminated
N E dE d eps ncg rms rms(c)
DAV: 1 0.144869229497E+04 0.14487E+04 -0.44229E+04 330 0.697E+02
DAV: 2 0.230416758597E+03 -0.12183E+04 -0.11412E+04 417 0.163E+02
DAV: 3 -0.364495412012E+03 -0.59491E+03 -0.59174E+03 354 0.115E+02
DAV: 4 -0.433376925340E+03 -0.68882E+02 -0.68625E+02 309 0.497E+01
DAV: 5 -0.434931709935E+03 -0.15548E+01 -0.15520E+01 336 0.770E+00 0.427E+01
DAV: 6 -0.388841238903E+03 0.46090E+02 -0.14984E+02 309 0.286E+01 0.209E+01
DAV: 7 -0.385366215183E+03 0.34750E+01 -0.13387E+01 345 0.778E+00 0.104E+01
DAV: 8 -0.383898458828E+03 0.14678E+01 -0.22882E+00 327 0.385E+00 0.438E+00
DAV: 9 -0.383348510867E+03 0.54995E+00 -0.12252E+00 336 0.233E+00 0.127E+00
DAV: 10 -0.383276486353E+03 0.72025E-01 -0.26808E-01 336 0.112E+00 0.900E-01
DAV: 11 -0.383250629489E+03 0.25857E-01 -0.58918E-02 336 0.564E-01 0.663E-01
DAV: 12 -0.383223525340E+03 0.27104E-01 -0.31869E-02 327 0.539E-01 0.491E-01
DAV: 13 -0.383213870324E+03 0.96550E-02 -0.73917E-02 327 0.447E-01 0.705E-01
DAV: 14 -0.383206625599E+03 0.72447E-02 -0.26856E-02 354 0.348E-01 0.316E-01
DAV: 15 -0.383205500677E+03 0.11249E-02 -0.55822E-03 300 0.256E-01 0.192E-01
DAV: 16 -0.383210955830E+03 -0.54552E-02 -0.76734E-03 309 0.271E-01 0.172E-01
DAV: 17 -0.383217111417E+03 -0.61556E-02 -0.43064E-03 327 0.180E-01 0.124E-01
DAV: 18 -0.383228649047E+03 -0.11538E-01 -0.21244E-03 300 0.156E-01 0.142E-01
DAV: 19 -0.383237997761E+03 -0.93487E-02 -0.20782E-03 309 0.123E-01 0.675E-02
DAV: 20 -0.383243068886E+03 -0.50711E-02 -0.75061E-04 336 0.680E-02 0.461E-02
DAV: 21 -0.383249021741E+03 -0.59529E-02 -0.35253E-04 300 0.435E-02 0.348E-02
DAV: 22 -0.383251304659E+03 -0.22829E-02 -0.70182E-05 336 0.209E-02 0.246E-02
DAV: 23 -0.383255290061E+03 -0.39854E-02 -0.31973E-04 291 0.352E-02 0.131E-02
DAV: 24 -0.383256247990E+03 -0.95793E-03 -0.39435E-05 318 0.140E-02 0.120E-02
DAV: 25 -0.383256561402E+03 -0.31341E-03 -0.83480E-06 237 0.842E-03 0.809E-03
DAV: 26 -0.383257294200E+03 -0.73280E-03 -0.38702E-05 264 0.117E-02 0.536E-03
DAV: 27 -0.383257434247E+03 -0.14005E-03 -0.26338E-06 228 0.506E-03 0.365E-03
DAV: 28 -0.383257592595E+03 -0.15835E-03 -0.68908E-06 192 0.607E-03 0.239E-03
DAV: 29 -0.383257614037E+03 -0.21442E-04 -0.10874E-06 237 0.284E-03 0.175E-03
DAV: 30 -0.383257686025E+03 -0.71988E-04 -0.25900E-06 201 0.429E-03 0.195E-03
DAV: 31 -0.383257707173E+03 -0.21149E-04 -0.10146E-06 219 0.240E-03 0.161E-03
DAV: 32 -0.383257712037E+03 -0.48635E-05 -0.52813E-07 228 0.195E-03
1 F= -.38325771E+03 E0= -.38327455E+03 d E =0.505012E-01