iterations/neb0_image07_iter24_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 0.150640098085E+04 0.15064E+04 -0.43557E+04 322 0.697E+02
DAV: 2 0.248265539023E+03 -0.12581E+04 -0.11839E+04 428 0.164E+02
DAV: 3 -0.359288740170E+03 -0.60755E+03 -0.60341E+03 356 0.117E+02
DAV: 4 -0.433037550382E+03 -0.73749E+02 -0.73437E+02 316 0.513E+01
DAV: 5 -0.434731335825E+03 -0.16938E+01 -0.16909E+01 332 0.787E+00 0.426E+01
DAV: 6 -0.388816872807E+03 0.45914E+02 -0.14976E+02 316 0.286E+01 0.208E+01
DAV: 7 -0.385323315936E+03 0.34936E+01 -0.12554E+01 332 0.771E+00 0.104E+01
DAV: 8 -0.383902470023E+03 0.14208E+01 -0.25384E+00 332 0.392E+00 0.429E+00
DAV: 9 -0.383343324812E+03 0.55915E+00 -0.60614E-01 332 0.192E+00 0.977E-01
DAV: 10 -0.383280729491E+03 0.62595E-01 -0.15383E-01 340 0.992E-01 0.729E-01
DAV: 11 -0.383264729748E+03 0.16000E-01 -0.40309E-02 348 0.483E-01 0.689E-01
DAV: 12 -0.383257688864E+03 0.70409E-02 -0.82495E-02 316 0.315E-01 0.491E-01
DAV: 13 -0.383244937560E+03 0.12751E-01 -0.49028E-02 308 0.376E-01 0.427E-01
DAV: 14 -0.383244535627E+03 0.40193E-03 -0.48582E-02 388 0.258E-01 0.275E-01
DAV: 15 -0.383246011927E+03 -0.14763E-02 -0.18907E-02 292 0.289E-01 0.297E-01
DAV: 16 -0.383258504407E+03 -0.12492E-01 -0.17851E-02 316 0.273E-01 0.286E-01
DAV: 17 -0.383270041346E+03 -0.11537E-01 -0.17610E-02 284 0.219E-01 0.209E-01
DAV: 18 -0.383275963626E+03 -0.59223E-02 -0.27575E-03 316 0.127E-01 0.974E-02
DAV: 19 -0.383283253288E+03 -0.72897E-02 -0.82701E-04 300 0.722E-02 0.946E-02
DAV: 20 -0.383287208042E+03 -0.39548E-02 -0.34414E-04 356 0.431E-02 0.405E-02
DAV: 21 -0.383294041256E+03 -0.68332E-02 -0.54394E-04 300 0.497E-02 0.199E-02
DAV: 22 -0.383297018560E+03 -0.29773E-02 -0.16500E-04 308 0.274E-02 0.241E-02
DAV: 23 -0.383298382482E+03 -0.13639E-02 -0.77689E-05 308 0.207E-02 0.139E-02
DAV: 24 -0.383300119089E+03 -0.17366E-02 -0.78877E-05 292 0.176E-02 0.141E-02
DAV: 25 -0.383300620357E+03 -0.50127E-03 -0.17561E-05 244 0.882E-03 0.586E-03
DAV: 26 -0.383301037834E+03 -0.41748E-03 -0.22281E-05 244 0.816E-03 0.444E-03
DAV: 27 -0.383301198642E+03 -0.16081E-03 -0.52981E-06 228 0.491E-03 0.308E-03
DAV: 28 -0.383301281528E+03 -0.82886E-04 -0.30510E-06 220 0.408E-03 0.227E-03
DAV: 29 -0.383301338094E+03 -0.56565E-04 -0.23005E-06 220 0.298E-03 0.169E-03
DAV: 30 -0.383301354751E+03 -0.16657E-04 -0.89952E-07 228 0.237E-03 0.110E-03
DAV: 31 -0.383301372001E+03 -0.17250E-04 -0.85183E-07 212 0.200E-03 0.772E-04
DAV: 32 -0.383301377127E+03 -0.51254E-05 -0.24966E-07 228 0.109E-03
1 F= -.38330138E+03 E0= -.38331489E+03 d E =0.405491E-01