./iterations/neb0_image03_iter36_OSZICAR.out output for 42: 3.3A-->1.3A 712(amd-3) Si-CH3H...HO-Si two dimer closed (TSS for CH3...OH)
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.151036183039E+04 0.15104E+04 -0.43528E+04 322 0.697E+02
DAV: 2 0.254405390550E+03 -0.12560E+04 -0.11784E+04 428 0.164E+02
DAV: 3 -0.357357053445E+03 -0.61176E+03 -0.60762E+03 356 0.118E+02
DAV: 4 -0.433276954449E+03 -0.75920E+02 -0.75593E+02 316 0.519E+01
DAV: 5 -0.435027289159E+03 -0.17503E+01 -0.17475E+01 324 0.806E+00 0.426E+01
DAV: 6 -0.389188036329E+03 0.45839E+02 -0.14927E+02 308 0.287E+01 0.208E+01
DAV: 7 -0.385753125332E+03 0.34349E+01 -0.12641E+01 340 0.778E+00 0.104E+01
DAV: 8 -0.384352561253E+03 0.14006E+01 -0.34639E+00 332 0.393E+00 0.434E+00
DAV: 9 -0.383775137809E+03 0.57742E+00 -0.70096E-01 324 0.209E+00 0.983E-01
DAV: 10 -0.383718261473E+03 0.56876E-01 -0.18446E-01 348 0.953E-01 0.884E-01
DAV: 11 -0.383702413382E+03 0.15848E-01 -0.12573E-01 356 0.457E-01 0.616E-01
DAV: 12 -0.383675868431E+03 0.26545E-01 -0.20218E-02 316 0.426E-01 0.378E-01
DAV: 13 -0.383658849254E+03 0.17019E-01 -0.25310E-02 308 0.522E-01 0.206E-01
DAV: 14 -0.383667611578E+03 -0.87623E-02 -0.22610E-02 308 0.478E-01 0.168E-01
DAV: 15 -0.383673795185E+03 -0.61836E-02 -0.50980E-03 308 0.211E-01 0.128E-01
DAV: 16 -0.383685523127E+03 -0.11728E-01 -0.28797E-03 284 0.154E-01 0.708E-02
DAV: 17 -0.383694749344E+03 -0.92262E-02 -0.20052E-03 308 0.142E-01 0.538E-02
DAV: 18 -0.383701719276E+03 -0.69699E-02 -0.13062E-03 316 0.113E-01 0.404E-02
DAV: 19 -0.383707580173E+03 -0.58609E-02 -0.32837E-04 300 0.481E-02 0.241E-02
DAV: 20 -0.383712788899E+03 -0.52087E-02 -0.38608E-04 308 0.462E-02 0.157E-02
DAV: 21 -0.383715385838E+03 -0.25969E-02 -0.15586E-04 308 0.301E-02 0.882E-03
DAV: 22 -0.383716331802E+03 -0.94596E-03 -0.43009E-05 300 0.150E-02 0.668E-03
DAV: 23 -0.383717148466E+03 -0.81666E-03 -0.33115E-05 268 0.132E-02 0.292E-03
DAV: 24 -0.383717464127E+03 -0.31566E-03 -0.13259E-05 236 0.801E-03 0.263E-03
DAV: 25 -0.383717604126E+03 -0.14000E-03 -0.46071E-06 236 0.512E-03 0.141E-03
DAV: 26 -0.383717712246E+03 -0.10812E-03 -0.42327E-06 212 0.439E-03 0.151E-03
DAV: 27 -0.383717743710E+03 -0.31465E-04 -0.16427E-06 228 0.310E-03 0.850E-04
DAV: 28 -0.383717765562E+03 -0.21852E-04 -0.14308E-06 212 0.279E-03 0.104E-03
DAV: 29 -0.383717770589E+03 -0.50271E-05 -0.37490E-07 236 0.157E-03
1 F= -.38371777E+03 E0= -.38372625E+03 d E =0.254525E-01