./iterations/neb0_image08_iter35_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 0.163070662110E+04 0.16307E+04 -0.42270E+04 306 0.696E+02
DAV: 2 0.305465090190E+03 -0.13252E+04 -0.12463E+04 420 0.167E+02
DAV: 3 -0.354110089049E+03 -0.65958E+03 -0.65421E+03 356 0.123E+02
DAV: 4 -0.432749170663E+03 -0.78639E+02 -0.78332E+02 308 0.545E+01
DAV: 5 -0.434544274684E+03 -0.17951E+01 -0.17917E+01 332 0.844E+00 0.425E+01
DAV: 6 -0.388792302575E+03 0.45752E+02 -0.14753E+02 308 0.285E+01 0.208E+01
DAV: 7 -0.385294285549E+03 0.34980E+01 -0.12455E+01 340 0.783E+00 0.103E+01
DAV: 8 -0.383857237969E+03 0.14370E+01 -0.18596E+00 340 0.378E+00 0.417E+00
DAV: 9 -0.383304282613E+03 0.55296E+00 -0.77380E-01 332 0.204E+00 0.109E+00
DAV: 10 -0.383266163779E+03 0.38119E-01 -0.35710E-01 348 0.979E-01 0.813E-01
DAV: 11 -0.383233870085E+03 0.32294E-01 -0.51646E-02 340 0.568E-01 0.619E-01
DAV: 12 -0.383207913407E+03 0.25957E-01 -0.27577E-02 316 0.491E-01 0.444E-01
DAV: 13 -0.383205202036E+03 0.27114E-02 -0.19406E-01 356 0.644E-01 0.106E+00
DAV: 14 -0.383191235985E+03 0.13966E-01 -0.23125E-01 340 0.474E-01 0.664E-01
DAV: 15 -0.383190006817E+03 0.12292E-02 -0.18545E-02 324 0.208E-01 0.368E-01
DAV: 16 -0.383191362950E+03 -0.13561E-02 -0.87084E-03 292 0.292E-01 0.209E-01
DAV: 17 -0.383198497041E+03 -0.71341E-02 -0.74391E-03 332 0.293E-01 0.181E-01
DAV: 18 -0.383206293553E+03 -0.77965E-02 -0.13961E-02 364 0.309E-01 0.190E-01
DAV: 19 -0.383210893787E+03 -0.46002E-02 -0.24261E-03 308 0.138E-01 0.195E-01
DAV: 20 -0.383219651115E+03 -0.87573E-02 -0.25499E-03 292 0.129E-01 0.182E-01
DAV: 21 -0.383224245819E+03 -0.45947E-02 -0.22703E-03 340 0.877E-02 0.814E-02
DAV: 22 -0.383231154760E+03 -0.69089E-02 -0.74834E-04 324 0.690E-02 0.632E-02
DAV: 23 -0.383234510336E+03 -0.33556E-02 -0.34121E-04 332 0.411E-02 0.467E-02
DAV: 24 -0.383236487482E+03 -0.19771E-02 -0.21925E-04 300 0.323E-02 0.223E-02
DAV: 25 -0.383238277436E+03 -0.17900E-02 -0.15862E-04 316 0.262E-02 0.236E-02
DAV: 26 -0.383239103631E+03 -0.82620E-03 -0.59554E-05 268 0.193E-02 0.136E-02
DAV: 27 -0.383240225127E+03 -0.11215E-02 -0.96866E-05 284 0.218E-02 0.174E-02
DAV: 28 -0.383240418100E+03 -0.19297E-03 -0.34787E-05 244 0.139E-02 0.993E-03
DAV: 29 -0.383240575656E+03 -0.15756E-03 -0.24052E-05 252 0.130E-02 0.624E-03
DAV: 30 -0.383240659814E+03 -0.84158E-04 -0.42675E-06 228 0.521E-03 0.563E-03
DAV: 31 -0.383240768996E+03 -0.10918E-03 -0.43709E-06 204 0.438E-03 0.586E-03
DAV: 32 -0.383240825715E+03 -0.56719E-04 -0.27501E-06 228 0.464E-03 0.395E-03
DAV: 33 -0.383240837861E+03 -0.12146E-04 -0.30550E-06 236 0.501E-03 0.180E-03
DAV: 34 -0.383240856601E+03 -0.18739E-04 -0.12225E-06 203 0.266E-03 0.233E-03
DAV: 35 -0.383240869572E+03 -0.12971E-04 -0.66880E-07 228 0.245E-03 0.176E-03
DAV: 36 -0.383240875766E+03 -0.61942E-05 -0.51367E-07 220 0.174E-03
1 F= -.38324088E+03 E0= -.38325941E+03 d E =0.556012E-01