iterations/neb0_image04_iter26_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 0.161884350988E+04 0.16188E+04 -0.42280E+04 306 0.697E+02
DAV: 2 0.297979328623E+03 -0.13209E+04 -0.12419E+04 420 0.168E+02
DAV: 3 -0.354114382202E+03 -0.65209E+03 -0.64851E+03 356 0.123E+02
DAV: 4 -0.433249531440E+03 -0.79135E+02 -0.78794E+02 316 0.540E+01
DAV: 5 -0.435093695270E+03 -0.18442E+01 -0.18419E+01 340 0.830E+00 0.427E+01
DAV: 6 -0.389071833924E+03 0.46022E+02 -0.15048E+02 308 0.286E+01 0.208E+01
DAV: 7 -0.385570610947E+03 0.35012E+01 -0.12380E+01 340 0.768E+00 0.104E+01
DAV: 8 -0.384140566729E+03 0.14300E+01 -0.26740E+00 332 0.389E+00 0.430E+00
DAV: 9 -0.383563319869E+03 0.57725E+00 -0.61845E-01 324 0.197E+00 0.974E-01
DAV: 10 -0.383504185425E+03 0.59134E-01 -0.15028E-01 348 0.968E-01 0.742E-01
DAV: 11 -0.383489668948E+03 0.14516E-01 -0.28621E-02 324 0.411E-01 0.613E-01
DAV: 12 -0.383478930475E+03 0.10738E-01 -0.96230E-02 316 0.399E-01 0.528E-01
DAV: 13 -0.383468590006E+03 0.10340E-01 -0.77202E-02 316 0.410E-01 0.647E-01
DAV: 14 -0.383464097430E+03 0.44926E-02 -0.45435E-02 348 0.237E-01 0.277E-01
DAV: 15 -0.383467621321E+03 -0.35239E-02 -0.83561E-03 308 0.268E-01 0.220E-01
DAV: 16 -0.383475500267E+03 -0.78789E-02 -0.42461E-03 316 0.190E-01 0.148E-01
DAV: 17 -0.383490133050E+03 -0.14633E-01 -0.41983E-03 276 0.188E-01 0.207E-01
DAV: 18 -0.383499682543E+03 -0.95495E-02 -0.35463E-03 316 0.158E-01 0.921E-02
DAV: 19 -0.383504870731E+03 -0.51882E-02 -0.70034E-04 324 0.710E-02 0.833E-02
DAV: 20 -0.383508559162E+03 -0.36884E-02 -0.38826E-04 308 0.469E-02 0.466E-02
DAV: 21 -0.383514095222E+03 -0.55361E-02 -0.35883E-04 316 0.510E-02 0.346E-02
DAV: 22 -0.383515514674E+03 -0.14195E-02 -0.16998E-04 356 0.324E-02 0.370E-02
DAV: 23 -0.383515383995E+03 0.13068E-03 -0.32913E-05 284 0.151E-02 0.366E-02
DAV: 24 -0.383515414968E+03 -0.30973E-04 -0.41936E-05 284 0.181E-02 0.350E-02
DAV: 25 -0.383517041738E+03 -0.16268E-02 -0.42559E-04 388 0.613E-02 0.350E-02
DAV: 26 -0.383519530883E+03 -0.24891E-02 -0.30311E-04 300 0.392E-02 0.340E-02
DAV: 27 -0.383520914009E+03 -0.13831E-02 -0.11092E-04 364 0.263E-02 0.237E-02
DAV: 28 -0.383522966108E+03 -0.20521E-02 -0.13754E-04 292 0.251E-02 0.731E-03
DAV: 29 -0.383523436372E+03 -0.47026E-03 -0.31737E-05 276 0.114E-02 0.881E-03
DAV: 30 -0.383523817357E+03 -0.38098E-03 -0.13293E-05 236 0.729E-03 0.693E-03
DAV: 31 -0.383523980085E+03 -0.16273E-03 -0.70139E-06 228 0.558E-03 0.293E-03
DAV: 32 -0.383524051271E+03 -0.71186E-04 -0.30865E-06 220 0.504E-03 0.238E-03
DAV: 33 -0.383524119529E+03 -0.68258E-04 -0.29628E-06 212 0.375E-03 0.238E-03
DAV: 34 -0.383524145117E+03 -0.25588E-04 -0.10900E-06 220 0.226E-03 0.205E-03
DAV: 35 -0.383524172241E+03 -0.27124E-04 -0.13793E-06 220 0.294E-03 0.129E-03
DAV: 36 -0.383524177579E+03 -0.53374E-05 -0.41518E-07 228 0.155E-03
1 F= -.38352418E+03 E0= -.38353907E+03 d E =0.446761E-01