iterations/neb0_image08_iter221_OSZICAR.out output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.373896752679E+03 0.37390E+03 -0.14281E+04 624 0.799E+02
DAV: 2 0.265627641377E+01 -0.37124E+03 -0.35953E+03 877 0.196E+02
DAV: 3 -0.967773435305E+02 -0.99434E+02 -0.99133E+02 661 0.116E+02
DAV: 4 -0.101253486160E+03 -0.44761E+01 -0.44634E+01 720 0.285E+01
DAV: 5 -0.101341109161E+03 -0.87623E-01 -0.87573E-01 728 0.361E+00 0.227E+01
DAV: 6 -0.926582881869E+02 0.86828E+01 -0.30985E+01 714 0.300E+01 0.119E+01
DAV: 7 -0.917920722563E+02 0.86622E+00 -0.17209E+00 720 0.613E+00 0.480E+00
DAV: 8 -0.914167781177E+02 0.37529E+00 -0.54586E-01 720 0.395E+00 0.161E+00
DAV: 9 -0.913372710461E+02 0.79507E-01 -0.13087E-01 728 0.154E+00 0.419E-01
DAV: 10 -0.913293310138E+02 0.79400E-02 -0.44485E-02 752 0.107E+00 0.301E-01
DAV: 11 -0.913341803960E+02 -0.48494E-02 -0.13376E-02 608 0.601E-01 0.146E-01
DAV: 12 -0.913371293579E+02 -0.29490E-02 -0.27395E-03 636 0.226E-01 0.111E-01
DAV: 13 -0.913408446111E+02 -0.37153E-02 -0.24298E-03 639 0.257E-01 0.526E-02
DAV: 14 -0.913440769830E+02 -0.32324E-02 -0.79468E-04 653 0.163E-01 0.261E-02
DAV: 15 -0.913452770687E+02 -0.12001E-02 -0.14322E-04 688 0.678E-02 0.203E-02
DAV: 16 -0.913463660690E+02 -0.10890E-02 -0.17301E-04 631 0.754E-02 0.127E-02
DAV: 17 -0.913467710154E+02 -0.40495E-03 -0.33625E-05 608 0.333E-02 0.120E-02
DAV: 18 -0.913469819033E+02 -0.21089E-03 -0.38024E-05 629 0.337E-02 0.533E-03
DAV: 19 -0.913470677494E+02 -0.85846E-04 -0.81480E-06 464 0.145E-02 0.256E-03
DAV: 20 -0.913470935266E+02 -0.25777E-04 -0.41124E-06 477 0.820E-03 0.171E-03
DAV: 21 -0.913471032853E+02 -0.97587E-05 -0.11946E-06 448 0.467E-03
1 F= -.91347103E+02 E0= -.91352080E+02 d E =0.149309E-01