iterations/neb0_image02_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 0.161791056499E+04 0.16179E+04 -0.42272E+04 306 0.697E+02
DAV: 2 0.296865388422E+03 -0.13210E+04 -0.12438E+04 420 0.168E+02
DAV: 3 -0.357964261961E+03 -0.65483E+03 -0.65111E+03 364 0.123E+02
DAV: 4 -0.433482413467E+03 -0.75518E+02 -0.75204E+02 316 0.520E+01
DAV: 5 -0.435195692367E+03 -0.17133E+01 -0.17106E+01 332 0.798E+00 0.427E+01
DAV: 6 -0.389127971218E+03 0.46068E+02 -0.15037E+02 308 0.286E+01 0.208E+01
DAV: 7 -0.385607321224E+03 0.35206E+01 -0.12412E+01 340 0.767E+00 0.104E+01
DAV: 8 -0.384162310467E+03 0.14450E+01 -0.21958E+00 332 0.375E+00 0.427E+00
DAV: 9 -0.383592012273E+03 0.57030E+00 -0.85267E-01 324 0.204E+00 0.993E-01
DAV: 10 -0.383535305751E+03 0.56707E-01 -0.10079E-01 332 0.856E-01 0.873E-01
DAV: 11 -0.383522318603E+03 0.12987E-01 -0.28058E-01 372 0.774E-01 0.101E+00
DAV: 12 -0.383499143260E+03 0.23175E-01 -0.23246E-01 316 0.503E-01 0.716E-01
DAV: 13 -0.383490299426E+03 0.88438E-02 -0.43687E-02 356 0.279E-01 0.315E-01
DAV: 14 -0.383482182820E+03 0.81166E-02 -0.20861E-02 300 0.381E-01 0.324E-01
DAV: 15 -0.383485578830E+03 -0.33960E-02 -0.10536E-02 316 0.271E-01 0.191E-01
DAV: 16 -0.383497615445E+03 -0.12037E-01 -0.44877E-03 284 0.210E-01 0.100E-01
DAV: 17 -0.383510580780E+03 -0.12965E-01 -0.33044E-03 300 0.152E-01 0.162E-01
DAV: 18 -0.383518315589E+03 -0.77348E-02 -0.17357E-03 340 0.933E-02 0.639E-02
DAV: 19 -0.383526951479E+03 -0.86359E-02 -0.84627E-04 292 0.625E-02 0.374E-02
DAV: 20 -0.383531756190E+03 -0.48047E-02 -0.29861E-04 316 0.379E-02 0.323E-02
DAV: 21 -0.383537220498E+03 -0.54643E-02 -0.37792E-04 308 0.436E-02 0.251E-02
DAV: 22 -0.383541057378E+03 -0.38369E-02 -0.27418E-04 316 0.345E-02 0.121E-02
DAV: 23 -0.383542187998E+03 -0.11306E-02 -0.63770E-05 300 0.181E-02 0.131E-02
DAV: 24 -0.383543007572E+03 -0.81957E-03 -0.34124E-05 276 0.117E-02 0.751E-03
DAV: 25 -0.383543452808E+03 -0.44524E-03 -0.17534E-05 244 0.848E-03 0.376E-03
DAV: 26 -0.383543676913E+03 -0.22411E-03 -0.79138E-06 212 0.554E-03 0.397E-03
DAV: 27 -0.383543766922E+03 -0.90009E-04 -0.34447E-06 228 0.375E-03 0.151E-03
DAV: 28 -0.383543818519E+03 -0.51597E-04 -0.19136E-06 196 0.290E-03 0.803E-04
DAV: 29 -0.383543850346E+03 -0.31827E-04 -0.14169E-06 212 0.204E-03 0.839E-04
DAV: 30 -0.383543860852E+03 -0.10506E-04 -0.51209E-07 228 0.163E-03 0.110E-03
DAV: 31 -0.383543871647E+03 -0.10795E-04 -0.47619E-07 204 0.141E-03 0.497E-04
DAV: 32 -0.383543873213E+03 -0.15660E-05 -0.14418E-07 228 0.970E-04
1 F= -.38354387E+03 E0= -.38355684E+03 d E =0.388920E-01