./iterations/neb0_image08_iter209_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 0.373103060667E+03 0.37310E+03 -0.14277E+04 624 0.799E+02
DAV: 2 0.345987846952E+01 -0.36964E+03 -0.35725E+03 869 0.196E+02
DAV: 3 -0.966247650140E+02 -0.10008E+03 -0.99773E+02 664 0.116E+02
DAV: 4 -0.101222340177E+03 -0.45976E+01 -0.45842E+01 712 0.288E+01
DAV: 5 -0.101312842775E+03 -0.90503E-01 -0.90446E-01 720 0.366E+00 0.226E+01
DAV: 6 -0.926457502030E+02 0.86671E+01 -0.31070E+01 717 0.301E+01 0.118E+01
DAV: 7 -0.917875039694E+02 0.85825E+00 -0.17286E+00 720 0.613E+00 0.478E+00
DAV: 8 -0.914132939418E+02 0.37421E+00 -0.53689E-01 720 0.393E+00 0.162E+00
DAV: 9 -0.913329506562E+02 0.80343E-01 -0.13245E-01 728 0.155E+00 0.419E-01
DAV: 10 -0.913252074353E+02 0.77432E-02 -0.45608E-02 752 0.110E+00 0.303E-01
DAV: 11 -0.913301881923E+02 -0.49808E-02 -0.14902E-02 616 0.638E-01 0.157E-01
DAV: 12 -0.913328941763E+02 -0.27060E-02 -0.28790E-03 628 0.242E-01 0.109E-01
DAV: 13 -0.913364732504E+02 -0.35791E-02 -0.22895E-03 639 0.248E-01 0.501E-02
DAV: 14 -0.913398586685E+02 -0.33854E-02 -0.96420E-04 653 0.191E-01 0.358E-02
DAV: 15 -0.913409386517E+02 -0.10800E-02 -0.24004E-04 688 0.926E-02 0.254E-02
DAV: 16 -0.913418169153E+02 -0.87826E-03 -0.15998E-04 656 0.771E-02 0.104E-02
DAV: 17 -0.913425169872E+02 -0.70007E-03 -0.67387E-05 650 0.355E-02 0.136E-02
DAV: 18 -0.913427228270E+02 -0.20584E-03 -0.20594E-05 568 0.270E-02 0.669E-03
DAV: 19 -0.913428490246E+02 -0.12620E-03 -0.32679E-05 551 0.298E-02 0.688E-03
DAV: 20 -0.913428615505E+02 -0.12526E-04 -0.31233E-06 520 0.171E-02 0.332E-03
DAV: 21 -0.913428748297E+02 -0.13279E-04 -0.73754E-06 406 0.154E-02 0.251E-03
DAV: 22 -0.913428795956E+02 -0.47659E-05 -0.98218E-07 464 0.702E-03
1 F= -.91342880E+02 E0= -.91347753E+02 d E =0.146203E-01