iterations/neb0_image02_iter13_OSZICAR.out output for 43: 3.6A-->1.6A 715(amd-3) Si-CH2H...H2HC-Si two dimer closed (TSS)
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.161789841049E+04 0.16179E+04 -0.42272E+04 306 0.697E+02
DAV: 2 0.296693225625E+03 -0.13212E+04 -0.12439E+04 420 0.168E+02
DAV: 3 -0.358032650067E+03 -0.65473E+03 -0.65102E+03 364 0.123E+02
DAV: 4 -0.433480456073E+03 -0.75448E+02 -0.75134E+02 316 0.520E+01
DAV: 5 -0.435191391771E+03 -0.17109E+01 -0.17082E+01 332 0.797E+00 0.427E+01
DAV: 6 -0.389122724449E+03 0.46069E+02 -0.15032E+02 308 0.286E+01 0.208E+01
DAV: 7 -0.385606515075E+03 0.35162E+01 -0.12497E+01 340 0.769E+00 0.104E+01
DAV: 8 -0.384164422365E+03 0.14421E+01 -0.25494E+00 332 0.384E+00 0.431E+00
DAV: 9 -0.383580107485E+03 0.58431E+00 -0.63025E-01 324 0.197E+00 0.977E-01
DAV: 10 -0.383525619879E+03 0.54488E-01 -0.13425E-01 348 0.939E-01 0.807E-01
DAV: 11 -0.383511648252E+03 0.13972E-01 -0.78124E-02 324 0.442E-01 0.780E-01
DAV: 12 -0.383496969273E+03 0.14679E-01 -0.13845E-01 308 0.413E-01 0.605E-01
DAV: 13 -0.383485605824E+03 0.11363E-01 -0.11935E-01 324 0.461E-01 0.678E-01
DAV: 14 -0.383480137146E+03 0.54687E-02 -0.50678E-02 356 0.256E-01 0.223E-01
DAV: 15 -0.383482115116E+03 -0.19780E-02 -0.78943E-03 300 0.251E-01 0.193E-01
DAV: 16 -0.383491981665E+03 -0.98665E-02 -0.78007E-03 308 0.219E-01 0.191E-01
DAV: 17 -0.383501409586E+03 -0.94279E-02 -0.67221E-03 292 0.174E-01 0.173E-01
DAV: 18 -0.383509707688E+03 -0.82981E-02 -0.30885E-03 316 0.134E-01 0.111E-01
DAV: 19 -0.383517812499E+03 -0.81048E-02 -0.10865E-03 324 0.786E-02 0.834E-02
DAV: 20 -0.383522478097E+03 -0.46656E-02 -0.31699E-04 364 0.449E-02 0.584E-02
DAV: 21 -0.383529563674E+03 -0.70856E-02 -0.60584E-04 316 0.497E-02 0.259E-02
DAV: 22 -0.383533533195E+03 -0.39695E-02 -0.15654E-04 316 0.270E-02 0.213E-02
DAV: 23 -0.383537235068E+03 -0.37019E-02 -0.22141E-04 292 0.259E-02 0.206E-02
DAV: 24 -0.383538914486E+03 -0.16794E-02 -0.99096E-05 316 0.176E-02 0.861E-03
DAV: 25 -0.383539441050E+03 -0.52656E-03 -0.15733E-05 228 0.904E-03 0.489E-03
DAV: 26 -0.383539924129E+03 -0.48308E-03 -0.20708E-05 252 0.757E-03 0.572E-03
DAV: 27 -0.383540115016E+03 -0.19089E-03 -0.55347E-06 220 0.463E-03 0.196E-03
DAV: 28 -0.383540213390E+03 -0.98374E-04 -0.41914E-06 228 0.360E-03 0.150E-03
DAV: 29 -0.383540242671E+03 -0.29281E-04 -0.10190E-06 228 0.196E-03 0.100E-03
DAV: 30 -0.383540286510E+03 -0.43839E-04 -0.16676E-06 204 0.211E-03 0.728E-04
DAV: 31 -0.383540296547E+03 -0.10037E-04 -0.53646E-07 220 0.130E-03 0.484E-04
DAV: 32 -0.383540302727E+03 -0.61794E-05 -0.25464E-07 220 0.926E-04
1 F= -.38354030E+03 E0= -.38355750E+03 d E =0.515808E-01