./iterations/neb0_image07_iter31_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 0.162917465275E+04 0.16292E+04 -0.42274E+04 306 0.696E+02
DAV: 2 0.303157084111E+03 -0.13260E+04 -0.12478E+04 420 0.167E+02
DAV: 3 -0.355106697949E+03 -0.65826E+03 -0.65129E+03 356 0.123E+02
DAV: 4 -0.432901415087E+03 -0.77795E+02 -0.77511E+02 308 0.544E+01
DAV: 5 -0.434673606351E+03 -0.17722E+01 -0.17690E+01 324 0.839E+00 0.426E+01
DAV: 6 -0.388924751911E+03 0.45749E+02 -0.14773E+02 308 0.285E+01 0.208E+01
DAV: 7 -0.385437224635E+03 0.34875E+01 -0.12493E+01 348 0.782E+00 0.103E+01
DAV: 8 -0.384010794373E+03 0.14264E+01 -0.19457E+00 332 0.376E+00 0.421E+00
DAV: 9 -0.383458236105E+03 0.55256E+00 -0.93086E-01 332 0.214E+00 0.130E+00
DAV: 10 -0.383404946621E+03 0.53289E-01 -0.39547E-01 348 0.103E+00 0.861E-01
DAV: 11 -0.383382444571E+03 0.22502E-01 -0.51982E-02 316 0.509E-01 0.739E-01
DAV: 12 -0.383355036271E+03 0.27408E-01 -0.37355E-02 324 0.508E-01 0.468E-01
DAV: 13 -0.383340612679E+03 0.14424E-01 -0.92207E-02 308 0.571E-01 0.609E-01
DAV: 14 -0.383337943912E+03 0.26688E-02 -0.99862E-02 340 0.441E-01 0.455E-01
DAV: 15 -0.383337802266E+03 0.14165E-03 -0.18586E-02 308 0.295E-01 0.194E-01
DAV: 16 -0.383343656804E+03 -0.58545E-02 -0.47182E-03 316 0.245E-01 0.159E-01
DAV: 17 -0.383356259898E+03 -0.12603E-01 -0.50286E-03 308 0.212E-01 0.120E-01
DAV: 18 -0.383368122840E+03 -0.11863E-01 -0.26178E-03 300 0.187E-01 0.816E-02
DAV: 19 -0.383376579212E+03 -0.84564E-02 -0.23865E-03 324 0.126E-01 0.664E-02
DAV: 20 -0.383380743029E+03 -0.41638E-02 -0.40702E-04 332 0.521E-02 0.366E-02
DAV: 21 -0.383384649900E+03 -0.39069E-02 -0.33112E-04 316 0.465E-02 0.579E-02
DAV: 22 -0.383388261321E+03 -0.36114E-02 -0.48454E-04 316 0.588E-02 0.236E-02
DAV: 23 -0.383388858578E+03 -0.59726E-03 -0.17722E-04 324 0.327E-02 0.257E-02
DAV: 24 -0.383389003711E+03 -0.14513E-03 -0.10687E-05 236 0.947E-03 0.229E-02
DAV: 25 -0.383389348637E+03 -0.34493E-03 -0.80003E-06 212 0.142E-02 0.219E-02
DAV: 26 -0.383389266978E+03 0.81659E-04 -0.43262E-06 204 0.685E-03 0.226E-02
DAV: 27 -0.383389514441E+03 -0.24746E-03 -0.53873E-06 204 0.609E-03 0.254E-02
DAV: 28 -0.383390807099E+03 -0.12927E-02 -0.51284E-04 340 0.661E-02 0.491E-02
DAV: 29 -0.383390835689E+03 -0.28591E-04 -0.10874E-04 324 0.234E-02 0.583E-02
DAV: 30 -0.383390842171E+03 -0.64816E-05 -0.15967E-06 236 0.298E-03
1 F= -.38339084E+03 E0= -.38340611E+03 d E =0.457943E-01