./iterations/neb0_image08_iter29_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 0.163020491019E+04 0.16302E+04 -0.42268E+04 306 0.696E+02
DAV: 2 0.305776676674E+03 -0.13244E+04 -0.12455E+04 420 0.167E+02
DAV: 3 -0.353841276021E+03 -0.65962E+03 -0.65463E+03 356 0.123E+02
DAV: 4 -0.432691692414E+03 -0.78850E+02 -0.78546E+02 308 0.546E+01
DAV: 5 -0.434490425468E+03 -0.17987E+01 -0.17955E+01 324 0.845E+00 0.425E+01
DAV: 6 -0.388756548510E+03 0.45734E+02 -0.14744E+02 308 0.285E+01 0.207E+01
DAV: 7 -0.385256238457E+03 0.35003E+01 -0.12498E+01 340 0.786E+00 0.103E+01
DAV: 8 -0.383838928113E+03 0.14173E+01 -0.25461E+00 332 0.393E+00 0.424E+00
DAV: 9 -0.383260480096E+03 0.57845E+00 -0.65078E-01 332 0.210E+00 0.942E-01
DAV: 10 -0.383212617667E+03 0.47862E-01 -0.20426E-01 348 0.100E+00 0.943E-01
DAV: 11 -0.383195612492E+03 0.17005E-01 -0.13250E-01 348 0.452E-01 0.621E-01
DAV: 12 -0.383169267163E+03 0.26345E-01 -0.18823E-02 308 0.419E-01 0.333E-01
DAV: 13 -0.383150881729E+03 0.18385E-01 -0.23580E-02 316 0.535E-01 0.209E-01
DAV: 14 -0.383158858336E+03 -0.79766E-02 -0.21788E-02 308 0.510E-01 0.168E-01
DAV: 15 -0.383166212702E+03 -0.73544E-02 -0.64273E-03 316 0.251E-01 0.122E-01
DAV: 16 -0.383176953845E+03 -0.10741E-01 -0.26756E-03 292 0.162E-01 0.812E-02
DAV: 17 -0.383186563945E+03 -0.96101E-02 -0.18910E-03 308 0.153E-01 0.611E-02
DAV: 18 -0.383192967965E+03 -0.64040E-02 -0.13334E-03 340 0.124E-01 0.469E-02
DAV: 19 -0.383197963916E+03 -0.49960E-02 -0.34064E-04 316 0.763E-02 0.334E-02
DAV: 20 -0.383203625578E+03 -0.56617E-02 -0.53420E-04 340 0.104E-01 0.190E-02
DAV: 21 -0.383205709832E+03 -0.20843E-02 -0.36657E-04 332 0.640E-02 0.197E-02
DAV: 22 -0.383206709735E+03 -0.99990E-03 -0.98336E-05 340 0.367E-02 0.127E-02
DAV: 23 -0.383207563377E+03 -0.85364E-03 -0.39555E-05 268 0.353E-02 0.866E-03
DAV: 24 -0.383208138705E+03 -0.57533E-03 -0.69884E-05 308 0.408E-02 0.795E-03
DAV: 25 -0.383208248288E+03 -0.10958E-03 -0.56862E-05 308 0.213E-02 0.694E-03
DAV: 26 -0.383208307393E+03 -0.59105E-04 -0.76502E-06 212 0.835E-03 0.474E-03
DAV: 27 -0.383208367129E+03 -0.59736E-04 -0.25552E-06 228 0.534E-03 0.253E-03
DAV: 28 -0.383208449980E+03 -0.82851E-04 -0.52943E-06 212 0.743E-03 0.252E-03
DAV: 29 -0.383208474246E+03 -0.24267E-04 -0.26233E-06 228 0.428E-03 0.216E-03
DAV: 30 -0.383208483954E+03 -0.97076E-05 -0.99311E-07 228 0.277E-03
1 F= -.38320848E+03 E0= -.38321708E+03 d E =0.257744E-01