./iterations/neb0_image08_iter6_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 0.163369936105E+04 0.16337E+04 -0.42288E+04 306 0.696E+02
DAV: 2 0.309351485647E+03 -0.13243E+04 -0.12450E+04 420 0.167E+02
DAV: 3 -0.355868885403E+03 -0.66522E+03 -0.65983E+03 364 0.123E+02
DAV: 4 -0.432752225153E+03 -0.76883E+02 -0.76597E+02 308 0.534E+01
DAV: 5 -0.434474033444E+03 -0.17218E+01 -0.17188E+01 332 0.824E+00 0.427E+01
DAV: 6 -0.388320596448E+03 0.46153E+02 -0.14880E+02 308 0.286E+01 0.208E+01
DAV: 7 -0.384785986561E+03 0.35346E+01 -0.12924E+01 356 0.797E+00 0.104E+01
DAV: 8 -0.383362035115E+03 0.14240E+01 -0.22949E+00 324 0.392E+00 0.422E+00
DAV: 9 -0.382789613819E+03 0.57242E+00 -0.64377E-01 332 0.204E+00 0.984E-01
DAV: 10 -0.382745106724E+03 0.44507E-01 -0.27516E-01 348 0.109E+00 0.107E+00
DAV: 11 -0.382723085084E+03 0.22022E-01 -0.15800E-01 324 0.482E-01 0.656E-01
DAV: 12 -0.382699619550E+03 0.23466E-01 -0.23785E-02 316 0.446E-01 0.411E-01
DAV: 13 -0.382686801475E+03 0.12818E-01 -0.31593E-02 316 0.424E-01 0.320E-01
DAV: 14 -0.382682661965E+03 0.41395E-02 -0.29042E-02 324 0.403E-01 0.357E-01
DAV: 15 -0.382689601013E+03 -0.69390E-02 -0.33343E-02 308 0.401E-01 0.249E-01
DAV: 16 -0.382693287633E+03 -0.36866E-02 -0.44169E-03 316 0.208E-01 0.144E-01
DAV: 17 -0.382702625142E+03 -0.93375E-02 -0.33682E-03 284 0.172E-01 0.811E-02
DAV: 18 -0.382713117772E+03 -0.10493E-01 -0.28560E-03 308 0.217E-01 0.104E-01
DAV: 19 -0.382719304290E+03 -0.61865E-02 -0.22615E-03 332 0.147E-01 0.716E-02
DAV: 20 -0.382721929949E+03 -0.26257E-02 -0.52655E-04 364 0.712E-02 0.597E-02
DAV: 21 -0.382722768930E+03 -0.83898E-03 -0.93397E-05 324 0.319E-02 0.612E-02
DAV: 22 -0.382722304891E+03 0.46404E-03 -0.12269E-04 324 0.491E-02 0.626E-02
DAV: 23 -0.382721496202E+03 0.80869E-03 -0.58438E-04 388 0.943E-02 0.739E-02
DAV: 24 -0.382722131137E+03 -0.63493E-03 -0.91688E-04 380 0.100E-01 0.600E-02
DAV: 25 -0.382722816800E+03 -0.68566E-03 -0.32860E-04 388 0.918E-02 0.666E-02
DAV: 26 -0.382722864625E+03 -0.47824E-04 -0.29362E-04 324 0.411E-02 0.636E-02
DAV: 27 -0.382723404878E+03 -0.54025E-03 -0.10137E-05 196 0.126E-02 0.649E-02
DAV: 28 -0.382722785124E+03 0.61975E-03 -0.30403E-03 396 0.226E-01 0.183E-01
DAV: 29 -0.382726756794E+03 -0.39717E-02 -0.21383E-03 388 0.171E-01 0.709E-02
DAV: 30 -0.382736734562E+03 -0.99778E-02 -0.18976E-02 364 0.430E-01 0.336E-01
DAV: 31 -0.382738504197E+03 -0.17696E-02 -0.47900E-03 324 0.171E-01 0.441E-01
DAV: 32 -0.382738767237E+03 -0.26304E-03 -0.19848E-04 316 0.495E-02 0.467E-01
DAV: 33 -0.382739223984E+03 -0.45675E-03 -0.13938E-04 308 0.431E-02 0.508E-01
DAV: 34 -0.382738595374E+03 0.62861E-03 -0.52360E-04 412 0.114E-01 0.496E-01
DAV: 35 -0.382737780047E+03 0.81533E-03 -0.18756E-03 388 0.158E-01 0.446E-01
DAV: 36 -0.382737038425E+03 0.74162E-03 -0.20188E-03 364 0.142E-01 0.363E-01
DAV: 37 -0.382736653950E+03 0.38447E-03 -0.13037E-03 388 0.177E-01 0.318E-01
DAV: 38 -0.382736728575E+03 -0.74624E-04 -0.10984E-03 340 0.103E-01 0.329E-01
DAV: 39 -0.382736721637E+03 0.69377E-05 -0.24613E-04 324 0.474E-02 0.328E-01
DAV: 40 -0.382736806840E+03 -0.85204E-04 -0.20577E-05 300 0.127E-02 0.343E-01
DAV: 41 -0.382736968474E+03 -0.16163E-03 -0.20990E-05 276 0.109E-02 0.359E-01
DAV: 42 -0.382736921672E+03 0.46802E-04 -0.62109E-06 204 0.837E-03 0.346E-01
DAV: 43 -0.382737343314E+03 -0.42164E-03 -0.20116E-04 292 0.307E-02 0.409E-01
DAV: 44 -0.382737325499E+03 0.17815E-04 -0.76772E-06 236 0.728E-03 0.408E-01
DAV: 45 -0.382737477464E+03 -0.15197E-03 -0.45303E-05 291 0.200E-02 0.441E-01
DAV: 46 -0.382737391253E+03 0.86212E-04 -0.22410E-05 268 0.197E-02 0.452E-01
DAV: 47 -0.382738009610E+03 -0.61836E-03 -0.32426E-04 340 0.852E-02 0.434E-01
DAV: 48 -0.382738021218E+03 -0.11609E-04 -0.18425E-04 324 0.352E-02 0.390E-01
DAV: 49 -0.382738484470E+03 -0.46325E-03 -0.12260E-03 364 0.196E-01 0.283E-01
DAV: 50 -0.382738877853E+03 -0.39338E-03 -0.12681E-03 324 0.904E-02 0.263E-01
DAV: 51 -0.382738827818E+03 0.50034E-04 -0.19518E-04 291 0.340E-02 0.262E-01
DAV: 52 -0.382738808531E+03 0.19287E-04 -0.67589E-06 252 0.104E-02 0.253E-01
DAV: 53 -0.382738847833E+03 -0.39302E-04 -0.14866E-05 252 0.200E-02 0.243E-01
DAV: 54 -0.382739020062E+03 -0.17223E-03 -0.68046E-05 324 0.476E-02 0.234E-01
DAV: 55 -0.382738969045E+03 0.51017E-04 -0.38511E-05 276 0.197E-02 0.242E-01
DAV: 56 -0.382739248998E+03 -0.27995E-03 -0.84009E-05 316 0.604E-02 0.248E-01
DAV: 57 -0.382739241345E+03 0.76525E-05 -0.73021E-05 316 0.152E-02
1 F= -.38273924E+03 E0= -.38275282E+03 d E =0.407371E-01