./iterations/neb0_image01_iter27_OSZICAR.out output for 42: 3.3A-->1.3A 712(amd-3) Si-CH3H...HO-Si two dimer closed (TSS for CH3...OH)
Status:
running
N E dE d eps ncg rms rms(c)
DAV: 1 0.150945876561E+04 0.15095E+04 -0.43514E+04 322 0.697E+02
DAV: 2 0.252921810446E+03 -0.12565E+04 -0.11788E+04 428 0.164E+02
DAV: 3 -0.355151922543E+03 -0.60807E+03 -0.60423E+03 348 0.118E+02
DAV: 4 -0.433256968230E+03 -0.78105E+02 -0.77780E+02 316 0.535E+01
DAV: 5 -0.435097616925E+03 -0.18406E+01 -0.18376E+01 340 0.827E+00 0.426E+01
DAV: 6 -0.389197883409E+03 0.45900E+02 -0.14913E+02 308 0.287E+01 0.208E+01
DAV: 7 -0.385738982286E+03 0.34589E+01 -0.12485E+01 340 0.774E+00 0.104E+01
DAV: 8 -0.384308626117E+03 0.14304E+01 -0.18365E+00 332 0.369E+00 0.419E+00
DAV: 9 -0.383768132331E+03 0.54049E+00 -0.71005E-01 332 0.195E+00 0.958E-01
DAV: 10 -0.383712398506E+03 0.55734E-01 -0.84495E-02 348 0.829E-01 0.781E-01
DAV: 11 -0.383702620769E+03 0.97777E-02 -0.26521E-01 380 0.701E-01 0.955E-01
DAV: 12 -0.383672040313E+03 0.30580E-01 -0.54690E-02 332 0.420E-01 0.449E-01
DAV: 13 -0.383665952465E+03 0.60878E-02 -0.73496E-02 316 0.458E-01 0.496E-01
DAV: 14 -0.383659805644E+03 0.61468E-02 -0.29540E-02 316 0.367E-01 0.219E-01
DAV: 15 -0.383664569197E+03 -0.47636E-02 -0.91122E-03 292 0.232E-01 0.160E-01
DAV: 16 -0.383675091508E+03 -0.10522E-01 -0.40331E-03 332 0.220E-01 0.124E-01
DAV: 17 -0.383686948452E+03 -0.11857E-01 -0.75090E-03 308 0.190E-01 0.221E-01
DAV: 18 -0.383692861944E+03 -0.59135E-02 -0.84535E-03 324 0.157E-01 0.101E-01
DAV: 19 -0.383700334490E+03 -0.74725E-02 -0.14075E-03 324 0.976E-02 0.826E-02
DAV: 20 -0.383705626989E+03 -0.52925E-02 -0.36011E-04 308 0.473E-02 0.406E-02
DAV: 21 -0.383709594483E+03 -0.39675E-02 -0.40656E-04 316 0.363E-02 0.426E-02
DAV: 22 -0.383713675143E+03 -0.40807E-02 -0.34106E-04 300 0.376E-02 0.233E-02
DAV: 23 -0.383715303332E+03 -0.16282E-02 -0.95783E-05 300 0.203E-02 0.102E-02
DAV: 24 -0.383716010461E+03 -0.70713E-03 -0.35389E-05 292 0.125E-02 0.579E-03
DAV: 25 -0.383716519436E+03 -0.50897E-03 -0.16440E-05 236 0.755E-03 0.396E-03
DAV: 26 -0.383716709211E+03 -0.18978E-03 -0.68133E-06 228 0.488E-03 0.454E-03
DAV: 27 -0.383716864100E+03 -0.15489E-03 -0.55694E-06 212 0.410E-03 0.233E-03
DAV: 28 -0.383716918281E+03 -0.54180E-04 -0.33943E-06 236 0.307E-03 0.183E-03
DAV: 29 -0.383716942052E+03 -0.23772E-04 -0.11823E-06 220 0.236E-03 0.867E-04
DAV: 30 -0.383716950053E+03 -0.80008E-05 -0.48276E-07 228 0.128E-03
1 F= -.38371695E+03 E0= -.38373028E+03 d E =0.399948E-01