iterations/neb0_image04_iter46_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 0.144689678504E+04 0.14469E+04 -0.44201E+04 330 0.697E+02
DAV: 2 0.230741583396E+03 -0.12162E+04 -0.11390E+04 417 0.163E+02
DAV: 3 -0.364017709387E+03 -0.59476E+03 -0.59161E+03 354 0.114E+02
DAV: 4 -0.433163807616E+03 -0.69146E+02 -0.68897E+02 309 0.497E+01
DAV: 5 -0.434719037294E+03 -0.15552E+01 -0.15527E+01 327 0.769E+00 0.426E+01
DAV: 6 -0.388907033683E+03 0.45812E+02 -0.14850E+02 309 0.285E+01 0.207E+01
DAV: 7 -0.385449468055E+03 0.34576E+01 -0.12917E+01 345 0.774E+00 0.104E+01
DAV: 8 -0.383974553574E+03 0.14749E+01 -0.18816E+00 336 0.376E+00 0.424E+00
DAV: 9 -0.383435050371E+03 0.53950E+00 -0.12670E+00 336 0.209E+00 0.104E+00
DAV: 10 -0.383368354869E+03 0.66696E-01 -0.11017E-01 327 0.903E-01 0.900E-01
DAV: 11 -0.383342905289E+03 0.25450E-01 -0.19632E-01 363 0.837E-01 0.891E-01
DAV: 12 -0.383313132781E+03 0.29773E-01 -0.10176E-01 318 0.511E-01 0.568E-01
DAV: 13 -0.383308384283E+03 0.47485E-02 -0.46104E-02 345 0.321E-01 0.555E-01
DAV: 14 -0.383297166809E+03 0.11217E-01 -0.22469E-02 309 0.375E-01 0.299E-01
DAV: 15 -0.383299958700E+03 -0.27919E-02 -0.99122E-03 336 0.284E-01 0.306E-01
DAV: 16 -0.383306380264E+03 -0.64216E-02 -0.13502E-02 327 0.208E-01 0.176E-01
DAV: 17 -0.383317225238E+03 -0.10845E-01 -0.40943E-03 300 0.191E-01 0.955E-02
DAV: 18 -0.383327495245E+03 -0.10270E-01 -0.23111E-03 318 0.136E-01 0.495E-02
DAV: 19 -0.383334630822E+03 -0.71356E-02 -0.85836E-04 327 0.875E-02 0.418E-02
DAV: 20 -0.383341324250E+03 -0.66934E-02 -0.42116E-04 309 0.478E-02 0.519E-02
DAV: 21 -0.383345916183E+03 -0.45919E-02 -0.25591E-04 309 0.327E-02 0.192E-02
DAV: 22 -0.383349902762E+03 -0.39866E-02 -0.28130E-04 282 0.294E-02 0.199E-02
DAV: 23 -0.383350727552E+03 -0.82479E-03 -0.31752E-05 300 0.118E-02 0.128E-02
DAV: 24 -0.383351878787E+03 -0.11512E-02 -0.69127E-05 282 0.146E-02 0.776E-03
DAV: 25 -0.383352154525E+03 -0.27574E-03 -0.73824E-06 237 0.672E-03 0.797E-03
DAV: 26 -0.383352360070E+03 -0.20555E-03 -0.11030E-05 201 0.838E-03 0.467E-03
DAV: 27 -0.383352443019E+03 -0.82949E-04 -0.40722E-06 228 0.499E-03 0.318E-03
DAV: 28 -0.383352498057E+03 -0.55037E-04 -0.22005E-06 201 0.327E-03 0.176E-03
DAV: 29 -0.383352547011E+03 -0.48954E-04 -0.29117E-06 219 0.402E-03 0.228E-03
DAV: 30 -0.383352561070E+03 -0.14059E-04 -0.77717E-07 228 0.237E-03 0.109E-03
DAV: 31 -0.383352570932E+03 -0.98626E-05 -0.85427E-07 219 0.240E-03
1 F= -.38335257E+03 E0= -.38336586E+03 d E =0.398690E-01