iterations/neb0_image04_iter64_OSZICAR.out output for 3: !!! 3.3A-->1.3A 709 (amd-9) Si-H2N...HCH2-Si two dimer (TSS)
Status:
terminated
N E dE d eps ncg rms rms(c)
DAV: 1 0.144856997961E+04 0.14486E+04 -0.44211E+04 330 0.697E+02
DAV: 2 0.230874287374E+03 -0.12177E+04 -0.11405E+04 417 0.163E+02
DAV: 3 -0.364512139479E+03 -0.59539E+03 -0.59211E+03 354 0.115E+02
DAV: 4 -0.433468493321E+03 -0.68956E+02 -0.68705E+02 309 0.497E+01
DAV: 5 -0.435012773425E+03 -0.15443E+01 -0.15418E+01 327 0.767E+00 0.427E+01
DAV: 6 -0.389024349797E+03 0.45988E+02 -0.14900E+02 309 0.286E+01 0.208E+01
DAV: 7 -0.385543606124E+03 0.34807E+01 -0.13030E+01 345 0.776E+00 0.104E+01
DAV: 8 -0.384073501794E+03 0.14701E+01 -0.19445E+00 327 0.379E+00 0.429E+00
DAV: 9 -0.383519461905E+03 0.55404E+00 -0.11380E+00 336 0.212E+00 0.104E+00
DAV: 10 -0.383455213418E+03 0.64248E-01 -0.13145E-01 327 0.900E-01 0.930E-01
DAV: 11 -0.383433409685E+03 0.21804E-01 -0.10059E-01 327 0.598E-01 0.723E-01
DAV: 12 -0.383407576510E+03 0.25833E-01 -0.31612E-02 318 0.372E-01 0.440E-01
DAV: 13 -0.383403025998E+03 0.45505E-02 -0.15427E-01 327 0.569E-01 0.866E-01
DAV: 14 -0.383386490158E+03 0.16536E-01 -0.38820E-02 318 0.408E-01 0.410E-01
DAV: 15 -0.383388173655E+03 -0.16835E-02 -0.11895E-02 318 0.267E-01 0.179E-01
DAV: 16 -0.383393739142E+03 -0.55655E-02 -0.38994E-03 300 0.208E-01 0.148E-01
DAV: 17 -0.383403090769E+03 -0.93516E-02 -0.56724E-03 354 0.251E-01 0.192E-01
DAV: 18 -0.383409327678E+03 -0.62369E-02 -0.34170E-03 300 0.170E-01 0.267E-01
DAV: 19 -0.383412661147E+03 -0.33335E-02 -0.17777E-03 363 0.119E-01 0.233E-01
DAV: 20 -0.383417765669E+03 -0.51045E-02 -0.16223E-03 345 0.111E-01 0.130E-01
DAV: 21 -0.383424021865E+03 -0.62562E-02 -0.83878E-04 327 0.865E-02 0.761E-02
DAV: 22 -0.383428834656E+03 -0.48128E-02 -0.57944E-04 327 0.554E-02 0.598E-02
DAV: 23 -0.383433086767E+03 -0.42521E-02 -0.29156E-04 327 0.424E-02 0.265E-02
DAV: 24 -0.383435310072E+03 -0.22233E-02 -0.14506E-04 318 0.276E-02 0.415E-02
DAV: 25 -0.383438072724E+03 -0.27627E-02 -0.15765E-04 300 0.298E-02 0.317E-02
DAV: 26 -0.383438858397E+03 -0.78567E-03 -0.49389E-05 327 0.179E-02 0.165E-02
DAV: 27 -0.383439622545E+03 -0.76415E-03 -0.35573E-05 300 0.138E-02 0.765E-03
DAV: 28 -0.383440102747E+03 -0.48020E-03 -0.18061E-05 237 0.950E-03 0.129E-02
DAV: 29 -0.383440270293E+03 -0.16755E-03 -0.98595E-06 237 0.549E-03 0.301E-03
DAV: 30 -0.383440506431E+03 -0.23614E-03 -0.11540E-05 210 0.593E-03 0.623E-03
DAV: 31 -0.383440571684E+03 -0.65253E-04 -0.33248E-06 228 0.337E-03 0.170E-03
DAV: 32 -0.383440637809E+03 -0.66125E-04 -0.28150E-06 210 0.318E-03 0.199E-03
DAV: 33 -0.383440662821E+03 -0.25011E-04 -0.11622E-06 228 0.219E-03 0.119E-03
DAV: 34 -0.383440674804E+03 -0.11984E-04 -0.55150E-07 228 0.141E-03 0.583E-04
DAV: 35 -0.383440684403E+03 -0.95985E-05 -0.37408E-07 210 0.126E-03
1 F= -.38344068E+03 E0= -.38345768E+03 d E =0.509924E-01