./iterations/neb0_image07_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 0.163013727833E+04 0.16301E+04 -0.42282E+04 306 0.696E+02
DAV: 2 0.303714021968E+03 -0.13264E+04 -0.12480E+04 420 0.167E+02
DAV: 3 -0.355163999546E+03 -0.65888E+03 -0.65233E+03 356 0.123E+02
DAV: 4 -0.432984648831E+03 -0.77821E+02 -0.77536E+02 308 0.545E+01
DAV: 5 -0.434750841604E+03 -0.17662E+01 -0.17630E+01 332 0.839E+00 0.426E+01
DAV: 6 -0.388866077248E+03 0.45885E+02 -0.14814E+02 308 0.285E+01 0.208E+01
DAV: 7 -0.385371043250E+03 0.34950E+01 -0.12632E+01 348 0.781E+00 0.104E+01
DAV: 8 -0.383954752332E+03 0.14163E+01 -0.32705E+00 332 0.397E+00 0.430E+00
DAV: 9 -0.383378653135E+03 0.57610E+00 -0.69385E-01 332 0.210E+00 0.983E-01
DAV: 10 -0.383319750572E+03 0.58903E-01 -0.17331E-01 348 0.101E+00 0.814E-01
DAV: 11 -0.383302403080E+03 0.17347E-01 -0.10226E-01 348 0.477E-01 0.593E-01
DAV: 12 -0.383273819989E+03 0.28583E-01 -0.19756E-02 316 0.459E-01 0.319E-01
DAV: 13 -0.383259076182E+03 0.14744E-01 -0.29362E-02 308 0.525E-01 0.263E-01
DAV: 14 -0.383266155392E+03 -0.70792E-02 -0.28238E-02 316 0.433E-01 0.216E-01
DAV: 15 -0.383270812418E+03 -0.46570E-02 -0.44097E-03 308 0.253E-01 0.159E-01
DAV: 16 -0.383282836031E+03 -0.12024E-01 -0.41123E-03 300 0.220E-01 0.857E-02
DAV: 17 -0.383293981998E+03 -0.11146E-01 -0.43686E-03 316 0.187E-01 0.923E-02
DAV: 18 -0.383300637271E+03 -0.66553E-02 -0.12826E-03 316 0.938E-02 0.464E-02
DAV: 19 -0.383306031738E+03 -0.53945E-02 -0.45464E-04 308 0.521E-02 0.259E-02
DAV: 20 -0.383311383777E+03 -0.53520E-02 -0.27045E-04 316 0.382E-02 0.197E-02
DAV: 21 -0.383313582019E+03 -0.21982E-02 -0.12603E-04 300 0.254E-02 0.205E-02
DAV: 22 -0.383315016128E+03 -0.14341E-02 -0.56187E-05 292 0.154E-02 0.107E-02
DAV: 23 -0.383316041404E+03 -0.10253E-02 -0.54968E-05 292 0.150E-02 0.542E-03
DAV: 24 -0.383316575028E+03 -0.53362E-03 -0.22456E-05 252 0.103E-02 0.528E-03
DAV: 25 -0.383316730787E+03 -0.15576E-03 -0.47537E-06 236 0.571E-03 0.291E-03
DAV: 26 -0.383316906487E+03 -0.17570E-03 -0.82825E-06 204 0.656E-03 0.329E-03
DAV: 27 -0.383316976764E+03 -0.70277E-04 -0.34068E-06 220 0.469E-03 0.218E-03
DAV: 28 -0.383316996327E+03 -0.19563E-04 -0.19790E-06 236 0.404E-03 0.129E-03
DAV: 29 -0.383317018215E+03 -0.21888E-04 -0.90027E-07 204 0.230E-03 0.701E-04
DAV: 30 -0.383317033734E+03 -0.15519E-04 -0.64107E-07 220 0.154E-03 0.747E-04
DAV: 31 -0.383317042064E+03 -0.83294E-05 -0.28700E-07 212 0.141E-03
1 F= -.38331704E+03 E0= -.38332558E+03 d E =0.256116E-01