./neb0_image00_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 0.161515885701E+04 0.16152E+04 -0.42283E+04 306 0.697E+02
DAV: 2 0.293802785871E+03 -0.13214E+04 -0.12426E+04 420 0.168E+02
DAV: 3 -0.358928853481E+03 -0.65273E+03 -0.64905E+03 364 0.123E+02
DAV: 4 -0.433549083883E+03 -0.74620E+02 -0.74329E+02 308 0.517E+01
DAV: 5 -0.435245178565E+03 -0.16961E+01 -0.16933E+01 332 0.792E+00 0.427E+01
DAV: 6 -0.389157361558E+03 0.46088E+02 -0.15063E+02 308 0.286E+01 0.208E+01
DAV: 7 -0.385625808013E+03 0.35316E+01 -0.12497E+01 340 0.768E+00 0.104E+01
DAV: 8 -0.384174335962E+03 0.14515E+01 -0.23262E+00 332 0.378E+00 0.426E+00
DAV: 9 -0.383583971093E+03 0.59036E+00 -0.71601E-01 324 0.202E+00 0.110E+00
DAV: 10 -0.383534844503E+03 0.49127E-01 -0.21747E-01 340 0.877E-01 0.905E-01
DAV: 11 -0.383512878429E+03 0.21966E-01 -0.24790E-01 316 0.559E-01 0.604E-01
DAV: 12 -0.383492507800E+03 0.20371E-01 -0.38390E-02 332 0.411E-01 0.572E-01
DAV: 13 -0.383480261892E+03 0.12246E-01 -0.66269E-02 316 0.421E-01 0.343E-01
DAV: 14 -0.383482331812E+03 -0.20699E-02 -0.20411E-02 324 0.323E-01 0.316E-01
DAV: 15 -0.383487766307E+03 -0.54345E-02 -0.13741E-02 324 0.246E-01 0.305E-01
DAV: 16 -0.383497605041E+03 -0.98387E-02 -0.10406E-02 276 0.217E-01 0.182E-01
DAV: 17 -0.383509391372E+03 -0.11786E-01 -0.45990E-03 300 0.146E-01 0.863E-02
DAV: 18 -0.383520653953E+03 -0.11263E-01 -0.20301E-03 316 0.111E-01 0.632E-02
DAV: 19 -0.383529906139E+03 -0.92522E-02 -0.79288E-04 316 0.673E-02 0.609E-02
DAV: 20 -0.383535700032E+03 -0.57939E-02 -0.38322E-04 316 0.486E-02 0.619E-02
DAV: 21 -0.383539671155E+03 -0.39711E-02 -0.27575E-04 300 0.362E-02 0.170E-02
DAV: 22 -0.383541840754E+03 -0.21696E-02 -0.15401E-04 300 0.238E-02 0.154E-02
DAV: 23 -0.383542589514E+03 -0.74876E-03 -0.34117E-05 268 0.119E-02 0.734E-03
DAV: 24 -0.383542946960E+03 -0.35745E-03 -0.12115E-05 228 0.768E-03 0.446E-03
DAV: 25 -0.383543195688E+03 -0.24873E-03 -0.89302E-06 220 0.516E-03 0.431E-03
DAV: 26 -0.383543394083E+03 -0.19840E-03 -0.66540E-06 212 0.489E-03 0.401E-03
DAV: 27 -0.383543468839E+03 -0.74756E-04 -0.41414E-06 228 0.422E-03 0.242E-03
DAV: 28 -0.383543491222E+03 -0.22383E-04 -0.13283E-06 228 0.281E-03 0.109E-03
DAV: 29 -0.383543515461E+03 -0.24239E-04 -0.12780E-06 196 0.276E-03 0.170E-03
DAV: 30 -0.383543523546E+03 -0.80849E-05 -0.40313E-07 220 0.150E-03
1 F= -.38354352E+03 E0= -.38355636E+03 d E =0.385016E-01