./iterations/neb0_image08_iter20_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 0.163178420827E+04 0.16318E+04 -0.42279E+04 306 0.696E+02
DAV: 2 0.305892677668E+03 -0.13259E+04 -0.12464E+04 420 0.167E+02
DAV: 3 -0.354415943469E+03 -0.66031E+03 -0.65581E+03 356 0.123E+02
DAV: 4 -0.432821882947E+03 -0.78406E+02 -0.78108E+02 308 0.546E+01
DAV: 5 -0.434606544880E+03 -0.17847E+01 -0.17815E+01 324 0.842E+00 0.426E+01
DAV: 6 -0.388668748516E+03 0.45938E+02 -0.14787E+02 308 0.286E+01 0.208E+01
DAV: 7 -0.385152688509E+03 0.35161E+01 -0.12677E+01 348 0.789E+00 0.104E+01
DAV: 8 -0.383746919840E+03 0.14058E+01 -0.24866E+00 340 0.394E+00 0.431E+00
DAV: 9 -0.383178060836E+03 0.56886E+00 -0.12010E+00 332 0.230E+00 0.118E+00
DAV: 10 -0.383117971028E+03 0.60090E-01 -0.31830E-01 332 0.116E+00 0.873E-01
DAV: 11 -0.383087709368E+03 0.30262E-01 -0.45714E-02 324 0.565E-01 0.610E-01
DAV: 12 -0.383069387589E+03 0.18322E-01 -0.15669E-01 356 0.701E-01 0.102E+00
DAV: 13 -0.383044484575E+03 0.24903E-01 -0.18064E-01 380 0.549E-01 0.411E-01
DAV: 14 -0.383043175845E+03 0.13087E-02 -0.11587E-02 308 0.342E-01 0.354E-01
DAV: 15 -0.383046477738E+03 -0.33019E-02 -0.10898E-02 308 0.432E-01 0.465E-01
DAV: 16 -0.383047086928E+03 -0.60919E-03 -0.76341E-03 332 0.236E-01 0.213E-01
DAV: 17 -0.383052846115E+03 -0.57592E-02 -0.34623E-03 284 0.198E-01 0.174E-01
DAV: 18 -0.383063152958E+03 -0.10307E-01 -0.52969E-03 332 0.251E-01 0.195E-01
DAV: 19 -0.383067562578E+03 -0.44096E-02 -0.42042E-03 348 0.213E-01 0.116E-01
DAV: 20 -0.383069773422E+03 -0.22108E-02 -0.19231E-03 332 0.137E-01 0.937E-02
DAV: 21 -0.383079472501E+03 -0.96991E-02 -0.13648E-02 356 0.253E-01 0.235E-01
DAV: 22 -0.383078197658E+03 0.12748E-02 -0.42292E-03 324 0.108E-01 0.178E-01
DAV: 23 -0.383079655163E+03 -0.14575E-02 -0.81904E-04 316 0.621E-02 0.174E-01
DAV: 24 -0.383082965051E+03 -0.33099E-02 -0.19892E-03 332 0.826E-02 0.113E-01
DAV: 25 -0.383085533283E+03 -0.25682E-02 -0.50325E-04 316 0.547E-02 0.481E-02
DAV: 26 -0.383086708260E+03 -0.11750E-02 -0.32522E-04 364 0.420E-02 0.335E-02
DAV: 27 -0.383087924651E+03 -0.12164E-02 -0.89246E-05 300 0.230E-02 0.300E-02
DAV: 28 -0.383089620193E+03 -0.16955E-02 -0.36878E-04 300 0.376E-02 0.247E-02
DAV: 29 -0.383090158676E+03 -0.53848E-03 -0.85218E-05 316 0.206E-02 0.250E-02
DAV: 30 -0.383090186461E+03 -0.27785E-04 -0.43012E-05 236 0.120E-02 0.144E-02
DAV: 31 -0.383090340612E+03 -0.15415E-03 -0.54904E-05 228 0.138E-02 0.753E-03
DAV: 32 -0.383090527038E+03 -0.18643E-03 -0.12341E-05 212 0.831E-03 0.380E-03
DAV: 33 -0.383090704038E+03 -0.17700E-03 -0.12669E-05 220 0.765E-03 0.582E-03
DAV: 34 -0.383090742745E+03 -0.38707E-04 -0.33305E-06 236 0.470E-03 0.508E-03
DAV: 35 -0.383090775519E+03 -0.32774E-04 -0.17014E-06 204 0.352E-03 0.376E-03
DAV: 36 -0.383090799694E+03 -0.24175E-04 -0.21806E-06 220 0.392E-03 0.287E-03
DAV: 37 -0.383090806102E+03 -0.64076E-05 -0.19371E-06 236 0.327E-03
1 F= -.38309081E+03 E0= -.38310907E+03 d E =0.548059E-01