./iterations/neb0_image02_iter12_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 0.150976583836E+04 0.15098E+04 -0.43521E+04 322 0.697E+02
DAV: 2 0.254336067245E+03 -0.12554E+04 -0.11784E+04 428 0.164E+02
DAV: 3 -0.354389634201E+03 -0.60873E+03 -0.60468E+03 348 0.118E+02
DAV: 4 -0.433200868844E+03 -0.78811E+02 -0.78483E+02 316 0.536E+01
DAV: 5 -0.435061776505E+03 -0.18609E+01 -0.18578E+01 340 0.832E+00 0.426E+01
DAV: 6 -0.389201296276E+03 0.45860E+02 -0.14893E+02 308 0.286E+01 0.208E+01
DAV: 7 -0.385745981799E+03 0.34553E+01 -0.12503E+01 340 0.776E+00 0.104E+01
DAV: 8 -0.384320388060E+03 0.14256E+01 -0.18737E+00 332 0.369E+00 0.422E+00
DAV: 9 -0.383805492533E+03 0.51490E+00 -0.13112E+00 324 0.211E+00 0.130E+00
DAV: 10 -0.383740325291E+03 0.65167E-01 -0.30789E-01 340 0.966E-01 0.129E+00
DAV: 11 -0.383714216699E+03 0.26109E-01 -0.25301E-01 356 0.550E-01 0.758E-01
DAV: 12 -0.383688200228E+03 0.26016E-01 -0.21101E-02 308 0.411E-01 0.444E-01
DAV: 13 -0.383668655845E+03 0.19544E-01 -0.36685E-02 308 0.503E-01 0.545E-01
DAV: 14 -0.383667203103E+03 0.14527E-02 -0.77152E-02 364 0.442E-01 0.437E-01
DAV: 15 -0.383667738627E+03 -0.53552E-03 -0.17606E-02 292 0.284E-01 0.155E-01
DAV: 16 -0.383678171987E+03 -0.10433E-01 -0.80899E-03 308 0.234E-01 0.183E-01
DAV: 17 -0.383689672718E+03 -0.11501E-01 -0.40917E-03 308 0.233E-01 0.110E-01
DAV: 18 -0.383695505225E+03 -0.58325E-02 -0.21327E-03 316 0.125E-01 0.124E-01
DAV: 19 -0.383698919365E+03 -0.34141E-02 -0.83943E-04 356 0.599E-02 0.572E-02
DAV: 20 -0.383708629155E+03 -0.97098E-02 -0.94296E-04 308 0.941E-02 0.569E-02
DAV: 21 -0.383712220474E+03 -0.35913E-02 -0.62661E-04 356 0.809E-02 0.456E-02
DAV: 22 -0.383713193098E+03 -0.97262E-03 -0.20973E-04 324 0.417E-02 0.361E-02
DAV: 23 -0.383713591182E+03 -0.39808E-03 -0.16315E-05 252 0.155E-02 0.374E-02
DAV: 24 -0.383712793371E+03 0.79781E-03 -0.36484E-05 276 0.376E-02 0.380E-02
DAV: 25 -0.383712829053E+03 -0.35682E-04 -0.33413E-04 372 0.691E-02 0.396E-02
DAV: 26 -0.383713051657E+03 -0.22260E-03 -0.41691E-04 380 0.663E-02 0.414E-02
DAV: 27 -0.383713206835E+03 -0.15518E-03 -0.11677E-04 340 0.352E-02 0.406E-02
DAV: 28 -0.383713626565E+03 -0.41973E-03 -0.22024E-04 380 0.869E-02 0.379E-02
DAV: 29 -0.383713733819E+03 -0.10725E-03 -0.14264E-04 332 0.689E-02 0.413E-02
DAV: 30 -0.383713929942E+03 -0.19612E-03 -0.12343E-03 396 0.178E-01 0.573E-02
DAV: 31 -0.383719290879E+03 -0.53609E-02 -0.55311E-03 380 0.479E-01 0.894E-02
DAV: 32 -0.383721014935E+03 -0.17241E-02 -0.66831E-03 332 0.191E-01 0.166E-01
DAV: 33 -0.383720299425E+03 0.71551E-03 -0.95053E-04 308 0.116E-01 0.168E-01
DAV: 34 -0.383720280579E+03 0.18846E-04 -0.17628E-04 316 0.247E-02 0.157E-01
DAV: 35 -0.383720195571E+03 0.85008E-04 -0.93828E-06 260 0.138E-02 0.155E-01
DAV: 36 -0.383720021454E+03 0.17412E-03 -0.75760E-04 372 0.141E-01 0.116E-01
DAV: 37 -0.383720241661E+03 -0.22021E-03 -0.17349E-03 364 0.134E-01 0.656E-02
DAV: 38 -0.383720459409E+03 -0.21775E-03 -0.80334E-04 380 0.110E-01 0.459E-02
DAV: 39 -0.383720632244E+03 -0.17284E-03 -0.26324E-04 324 0.386E-02 0.410E-02
DAV: 40 -0.383720672715E+03 -0.40471E-04 -0.93966E-05 364 0.563E-02 0.443E-02
DAV: 41 -0.383720325955E+03 0.34676E-03 -0.11212E-03 380 0.183E-01 0.748E-02
DAV: 42 -0.383720103999E+03 0.22196E-03 -0.13900E-03 324 0.947E-02 0.771E-02
DAV: 43 -0.383720086294E+03 0.17705E-04 -0.20173E-04 324 0.335E-02 0.817E-02
DAV: 44 -0.383720060935E+03 0.25359E-04 -0.35481E-06 236 0.429E-03 0.813E-02
DAV: 45 -0.383720026401E+03 0.34534E-04 -0.81897E-06 228 0.101E-02 0.831E-02
DAV: 46 -0.383719954861E+03 0.71541E-04 -0.32835E-06 236 0.124E-02 0.843E-02
DAV: 47 -0.383719977483E+03 -0.22622E-04 -0.85833E-06 212 0.767E-03 0.856E-02
DAV: 48 -0.383720033701E+03 -0.56218E-04 -0.31900E-06 212 0.813E-03 0.866E-02
DAV: 49 -0.383720187217E+03 -0.15352E-03 -0.12621E-05 275 0.238E-02 0.856E-02
DAV: 50 -0.383720469830E+03 -0.28261E-03 -0.78486E-05 372 0.509E-02 0.843E-02
DAV: 51 -0.383720572977E+03 -0.10315E-03 -0.11223E-04 324 0.234E-02 0.811E-02
DAV: 52 -0.383720605171E+03 -0.32194E-04 -0.77391E-06 204 0.761E-03 0.802E-02
DAV: 53 -0.383720973605E+03 -0.36843E-03 -0.13433E-04 388 0.831E-02 0.868E-02
DAV: 54 -0.383721343794E+03 -0.37019E-03 -0.56760E-04 396 0.119E-01 0.106E-01
DAV: 55 -0.383721435596E+03 -0.91802E-04 -0.45973E-04 316 0.399E-02 0.911E-02
DAV: 56 -0.383721441626E+03 -0.60299E-05 -0.59244E-06 204 0.596E-03
1 F= -.38372144E+03 E0= -.38374022E+03 d E =0.563400E-01