./iterations/neb0_image02_iter30_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 0.150983159933E+04 0.15098E+04 -0.43521E+04 322 0.697E+02
DAV: 2 0.254340544932E+03 -0.12555E+04 -0.11785E+04 428 0.164E+02
DAV: 3 -0.354392342946E+03 -0.60873E+03 -0.60467E+03 348 0.118E+02
DAV: 4 -0.433196809715E+03 -0.78804E+02 -0.78476E+02 316 0.536E+01
DAV: 5 -0.435058118124E+03 -0.18613E+01 -0.18582E+01 340 0.832E+00 0.426E+01
DAV: 6 -0.389201692033E+03 0.45856E+02 -0.14891E+02 308 0.286E+01 0.208E+01
DAV: 7 -0.385744899881E+03 0.34568E+01 -0.12486E+01 340 0.775E+00 0.104E+01
DAV: 8 -0.384319607804E+03 0.14253E+01 -0.18995E+00 324 0.371E+00 0.421E+00
DAV: 9 -0.383783570085E+03 0.53604E+00 -0.97385E-01 332 0.209E+00 0.963E-01
DAV: 10 -0.383733191581E+03 0.50379E-01 -0.93408E-02 340 0.858E-01 0.738E-01
DAV: 11 -0.383692312254E+03 0.40879E-01 -0.68862E-02 340 0.691E-01 0.508E-01
DAV: 12 -0.383679331442E+03 0.12981E-01 -0.72361E-02 356 0.543E-01 0.686E-01
DAV: 13 -0.383672236137E+03 0.70953E-02 -0.94171E-02 364 0.370E-01 0.377E-01
DAV: 14 -0.383668733296E+03 0.35028E-02 -0.18767E-02 308 0.301E-01 0.274E-01
DAV: 15 -0.383672814177E+03 -0.40809E-02 -0.31451E-02 340 0.246E-01 0.280E-01
DAV: 16 -0.383675560482E+03 -0.27463E-02 -0.12270E-02 292 0.292E-01 0.172E-01
DAV: 17 -0.383687126181E+03 -0.11566E-01 -0.67089E-03 316 0.216E-01 0.243E-01
DAV: 18 -0.383699464847E+03 -0.12339E-01 -0.24528E-02 292 0.200E-01 0.210E-01
DAV: 19 -0.383703043659E+03 -0.35788E-02 -0.22314E-03 316 0.103E-01 0.161E-01
DAV: 20 -0.383707768749E+03 -0.47251E-02 -0.13656E-03 348 0.683E-02 0.635E-02
DAV: 21 -0.383714346470E+03 -0.65777E-02 -0.53131E-04 316 0.606E-02 0.599E-02
DAV: 22 -0.383716849727E+03 -0.25033E-02 -0.17429E-04 324 0.345E-02 0.251E-02
DAV: 23 -0.383719316131E+03 -0.24664E-02 -0.18102E-04 300 0.273E-02 0.407E-02
DAV: 24 -0.383720837735E+03 -0.15216E-02 -0.94404E-05 308 0.199E-02 0.195E-02
DAV: 25 -0.383721664299E+03 -0.82656E-03 -0.42242E-05 284 0.137E-02 0.196E-02
DAV: 26 -0.383722067779E+03 -0.40348E-03 -0.30572E-05 252 0.118E-02 0.698E-03
DAV: 27 -0.383722261406E+03 -0.19363E-03 -0.12605E-05 236 0.765E-03 0.115E-02
DAV: 28 -0.383722361468E+03 -0.10006E-03 -0.46501E-06 220 0.494E-03 0.783E-03
DAV: 29 -0.383722460234E+03 -0.98766E-04 -0.40894E-06 212 0.381E-03 0.488E-03
DAV: 30 -0.383722492649E+03 -0.32415E-04 -0.26641E-06 236 0.390E-03 0.271E-03
DAV: 31 -0.383722520641E+03 -0.27991E-04 -0.13897E-06 204 0.254E-03 0.157E-03
DAV: 32 -0.383722531731E+03 -0.11090E-04 -0.68373E-07 228 0.154E-03 0.128E-03
DAV: 33 -0.383722537887E+03 -0.61556E-05 -0.29120E-07 236 0.127E-03
1 F= -.38372254E+03 E0= -.38373577E+03 d E =0.396885E-01