./iterations/neb0_image04_iter8_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 0.151103217851E+04 0.15110E+04 -0.43532E+04 322 0.697E+02
DAV: 2 0.253840864728E+03 -0.12572E+04 -0.11803E+04 428 0.164E+02
DAV: 3 -0.354434169113E+03 -0.60828E+03 -0.60460E+03 348 0.118E+02
DAV: 4 -0.433114526661E+03 -0.78680E+02 -0.78339E+02 316 0.535E+01
DAV: 5 -0.434970722893E+03 -0.18562E+01 -0.18529E+01 340 0.831E+00 0.426E+01
DAV: 6 -0.389152261825E+03 0.45818E+02 -0.14862E+02 308 0.286E+01 0.208E+01
DAV: 7 -0.385699165372E+03 0.34531E+01 -0.12613E+01 340 0.780E+00 0.104E+01
DAV: 8 -0.384314474744E+03 0.13847E+01 -0.26930E+00 332 0.391E+00 0.435E+00
DAV: 9 -0.383736621657E+03 0.57785E+00 -0.94912E-01 332 0.220E+00 0.113E+00
DAV: 10 -0.383680413856E+03 0.56208E-01 -0.28307E-01 332 0.109E+00 0.907E-01
DAV: 11 -0.383649243599E+03 0.31170E-01 -0.60206E-02 348 0.571E-01 0.659E-01
DAV: 12 -0.383647190208E+03 0.20534E-02 -0.30338E-01 348 0.703E-01 0.117E+00
DAV: 13 -0.383611642776E+03 0.35547E-01 -0.14368E-01 308 0.504E-01 0.294E-01
DAV: 14 -0.383608613200E+03 0.30296E-02 -0.18642E-02 308 0.409E-01 0.359E-01
DAV: 15 -0.383611622742E+03 -0.30095E-02 -0.15732E-02 316 0.349E-01 0.283E-01
DAV: 16 -0.383621280130E+03 -0.96574E-02 -0.23962E-02 316 0.284E-01 0.341E-01
DAV: 17 -0.383624374827E+03 -0.30947E-02 -0.11807E-02 316 0.191E-01 0.226E-01
DAV: 18 -0.383631878646E+03 -0.75038E-02 -0.29652E-03 292 0.183E-01 0.772E-02
DAV: 19 -0.383639607166E+03 -0.77285E-02 -0.23029E-03 332 0.170E-01 0.795E-02
DAV: 20 -0.383641564969E+03 -0.19578E-02 -0.10798E-03 324 0.903E-02 0.863E-02
DAV: 21 -0.383641820967E+03 -0.25600E-03 -0.49872E-05 324 0.192E-02 0.848E-02
DAV: 22 -0.383641765584E+03 0.55383E-04 -0.38120E-06 244 0.525E-03 0.847E-02
DAV: 23 -0.383640914516E+03 0.85107E-03 -0.34732E-04 356 0.825E-02 0.854E-02
DAV: 24 -0.383644342166E+03 -0.34276E-02 -0.22596E-03 364 0.192E-01 0.110E-01
DAV: 25 -0.383647109348E+03 -0.27672E-02 -0.28593E-03 388 0.197E-01 0.132E-01
DAV: 26 -0.383648196297E+03 -0.10869E-02 -0.16783E-03 316 0.170E-01 0.111E-01
DAV: 27 -0.383649812598E+03 -0.16163E-02 -0.47183E-03 388 0.303E-01 0.140E-01
DAV: 28 -0.383649668001E+03 0.14460E-03 -0.29030E-03 324 0.110E-01 0.121E-01
DAV: 29 -0.383649932059E+03 -0.26406E-03 -0.33109E-04 380 0.731E-02 0.125E-01
DAV: 30 -0.383649671510E+03 0.26055E-03 -0.78473E-04 412 0.906E-02 0.102E-01
DAV: 31 -0.383650581097E+03 -0.90959E-03 -0.84578E-04 308 0.848E-02 0.108E-01
DAV: 32 -0.383653484415E+03 -0.29033E-02 -0.58866E-04 308 0.797E-02 0.119E-01
DAV: 33 -0.383654786227E+03 -0.13018E-02 -0.70836E-03 380 0.206E-01 0.940E-02
DAV: 34 -0.383654749590E+03 0.36637E-04 -0.94246E-04 316 0.583E-02 0.822E-02
DAV: 35 -0.383654705193E+03 0.44397E-04 -0.31927E-05 284 0.116E-02 0.755E-02
DAV: 36 -0.383654812406E+03 -0.10721E-03 -0.21645E-05 220 0.811E-03 0.836E-02
DAV: 37 -0.383654743741E+03 0.68666E-04 -0.27028E-04 260 0.273E-02 0.614E-02
DAV: 38 -0.383655633478E+03 -0.88974E-03 -0.23807E-03 316 0.102E-01 0.141E-01
DAV: 39 -0.383656090419E+03 -0.45694E-03 -0.35847E-04 316 0.459E-02 0.176E-01
DAV: 40 -0.383657151470E+03 -0.10611E-02 -0.10167E-03 412 0.858E-02 0.231E-01
DAV: 41 -0.383657882648E+03 -0.73118E-03 -0.50308E-04 292 0.685E-02 0.234E-01
DAV: 42 -0.383658053426E+03 -0.17078E-03 -0.18645E-04 340 0.355E-02 0.222E-01
DAV: 43 -0.383658089493E+03 -0.36067E-04 -0.36568E-05 308 0.175E-02 0.222E-01
DAV: 44 -0.383658128365E+03 -0.38872E-04 -0.63562E-06 236 0.722E-03 0.224E-01
DAV: 45 -0.383658385229E+03 -0.25686E-03 -0.64722E-05 308 0.230E-02 0.242E-01
DAV: 46 -0.383658197526E+03 0.18770E-03 -0.31850E-04 348 0.582E-02 0.214E-01
DAV: 47 -0.383658528074E+03 -0.33055E-03 -0.27268E-04 372 0.680E-02 0.223E-01
DAV: 48 -0.383658548398E+03 -0.20324E-04 -0.15337E-04 324 0.261E-02 0.222E-01
DAV: 49 -0.383658525228E+03 0.23170E-04 -0.12896E-05 244 0.954E-03 0.215E-01
DAV: 50 -0.383658786511E+03 -0.26128E-03 -0.65960E-04 292 0.764E-02 0.213E-01
DAV: 51 -0.383658774437E+03 0.12074E-04 -0.34031E-04 348 0.646E-02 0.192E-01
DAV: 52 -0.383658982972E+03 -0.20854E-03 -0.17602E-04 332 0.398E-02 0.198E-01
DAV: 53 -0.383658968528E+03 0.14444E-04 -0.36510E-05 292 0.167E-02 0.199E-01
DAV: 54 -0.383658819001E+03 0.14953E-03 -0.42324E-05 236 0.232E-02 0.189E-01
DAV: 55 -0.383658647265E+03 0.17174E-03 -0.24579E-04 356 0.686E-02 0.166E-01
DAV: 56 -0.383658761124E+03 -0.11386E-03 -0.15057E-04 308 0.290E-02 0.166E-01
DAV: 57 -0.383658704978E+03 0.56146E-04 -0.44783E-05 284 0.214E-02 0.152E-01
DAV: 58 -0.383658554936E+03 0.15004E-03 -0.32696E-04 364 0.695E-02 0.107E-01
DAV: 59 -0.383658663871E+03 -0.10894E-03 -0.21539E-04 348 0.435E-02 0.873E-02
DAV: 60 -0.383658703622E+03 -0.39752E-04 -0.75135E-05 356 0.283E-02 0.793E-02
DAV: 61 -0.383658759954E+03 -0.56331E-04 -0.25079E-05 284 0.183E-02 0.832E-02
DAV: 62 -0.383658773176E+03 -0.13223E-04 -0.13042E-05 260 0.113E-02 0.846E-02
DAV: 63 -0.383658764482E+03 0.86948E-05 -0.81883E-06 212 0.112E-02
1 F= -.38365876E+03 E0= -.38367702E+03 d E =0.547525E-01