./iterations/neb0_image06_iter10_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 0.162847785681E+04 0.16285E+04 -0.42283E+04 306 0.696E+02
DAV: 2 0.303319201688E+03 -0.13252E+04 -0.12466E+04 420 0.167E+02
DAV: 3 -0.352254390878E+03 -0.65557E+03 -0.65035E+03 356 0.123E+02
DAV: 4 -0.432965380722E+03 -0.80711E+02 -0.80364E+02 308 0.545E+01
DAV: 5 -0.434873689597E+03 -0.19083E+01 -0.19046E+01 332 0.848E+00 0.426E+01
DAV: 6 -0.388974927353E+03 0.45899E+02 -0.14876E+02 308 0.286E+01 0.208E+01
DAV: 7 -0.385468462601E+03 0.35065E+01 -0.12323E+01 340 0.778E+00 0.104E+01
DAV: 8 -0.384040010664E+03 0.14285E+01 -0.19557E+00 332 0.377E+00 0.422E+00
DAV: 9 -0.383506396440E+03 0.53361E+00 -0.16532E+00 332 0.224E+00 0.108E+00
DAV: 10 -0.383446975092E+03 0.59421E-01 -0.11524E-01 332 0.977E-01 0.811E-01
DAV: 11 -0.383412208356E+03 0.34767E-01 -0.10557E-01 332 0.772E-01 0.600E-01
DAV: 12 -0.383393779431E+03 0.18429E-01 -0.54783E-02 324 0.489E-01 0.397E-01
DAV: 13 -0.383384086186E+03 0.96932E-02 -0.15906E-02 324 0.363E-01 0.274E-01
DAV: 14 -0.383381752415E+03 0.23338E-02 -0.11288E-02 316 0.420E-01 0.139E-01
DAV: 15 -0.383388798035E+03 -0.70456E-02 -0.92688E-03 308 0.313E-01 0.120E-01
DAV: 16 -0.383398991546E+03 -0.10194E-01 -0.34914E-03 316 0.231E-01 0.145E-01
DAV: 17 -0.383402814377E+03 -0.38228E-02 -0.36717E-03 364 0.189E-01 0.115E-01
DAV: 18 -0.383408818535E+03 -0.60042E-02 -0.69628E-03 332 0.137E-01 0.160E-01
DAV: 19 -0.383414385317E+03 -0.55668E-02 -0.99267E-04 292 0.999E-02 0.597E-02
DAV: 20 -0.383419111566E+03 -0.47262E-02 -0.80748E-04 332 0.788E-02 0.403E-02
DAV: 21 -0.383424320326E+03 -0.52088E-02 -0.38106E-04 324 0.748E-02 0.643E-02
DAV: 22 -0.383427478858E+03 -0.31585E-02 -0.60322E-04 340 0.837E-02 0.730E-02
DAV: 23 -0.383427951365E+03 -0.47251E-03 -0.19908E-04 324 0.405E-02 0.560E-02
DAV: 24 -0.383427796354E+03 0.15501E-03 -0.23173E-05 300 0.133E-02 0.553E-02
DAV: 25 -0.383427375245E+03 0.42111E-03 -0.60634E-05 284 0.350E-02 0.633E-02
DAV: 26 -0.383427026786E+03 0.34846E-03 -0.61833E-04 404 0.878E-02 0.924E-02
DAV: 27 -0.383427291871E+03 -0.26508E-03 -0.46578E-04 300 0.629E-02 0.650E-02
DAV: 28 -0.383427330850E+03 -0.38980E-04 -0.10276E-04 372 0.322E-02 0.612E-02
DAV: 29 -0.383427408787E+03 -0.77937E-04 -0.22843E-05 276 0.229E-02 0.662E-02
DAV: 30 -0.383428020305E+03 -0.61152E-03 -0.13809E-03 388 0.212E-01 0.686E-02
DAV: 31 -0.383428322856E+03 -0.30255E-03 -0.42643E-04 292 0.808E-02 0.337E-02
DAV: 32 -0.383429746094E+03 -0.14232E-02 -0.20343E-04 292 0.321E-02 0.379E-02
DAV: 33 -0.383431247209E+03 -0.15011E-02 -0.40519E-04 356 0.868E-02 0.402E-02
DAV: 34 -0.383431961193E+03 -0.71398E-03 -0.82482E-04 404 0.115E-01 0.523E-02
DAV: 35 -0.383432203743E+03 -0.24255E-03 -0.54386E-04 324 0.681E-02 0.717E-02
DAV: 36 -0.383432356349E+03 -0.15261E-03 -0.85153E-05 364 0.378E-02 0.772E-02
DAV: 37 -0.383432472099E+03 -0.11575E-03 -0.52432E-05 332 0.303E-02 0.837E-02
DAV: 38 -0.383432625024E+03 -0.15292E-03 -0.38967E-05 308 0.323E-02 0.910E-02
DAV: 39 -0.383432559136E+03 0.65888E-04 -0.32014E-05 284 0.178E-02 0.933E-02
DAV: 40 -0.383432557685E+03 0.14509E-05 -0.24358E-06 180 0.333E-03
1 F= -.38343256E+03 E0= -.38344596E+03 d E =0.401975E-01