./iterations/neb0_image08_iter48_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 0.375247002216E+03 0.37525E+03 -0.14276E+04 624 0.799E+02
DAV: 2 0.368568794817E+01 -0.37156E+03 -0.35786E+03 869 0.196E+02
DAV: 3 -0.967118860289E+02 -0.10040E+03 -0.10006E+03 688 0.117E+02
DAV: 4 -0.101061467989E+03 -0.43496E+01 -0.43395E+01 696 0.275E+01
DAV: 5 -0.101146838207E+03 -0.85370E-01 -0.85332E-01 728 0.347E+00 0.226E+01
DAV: 6 -0.925451108338E+02 0.86017E+01 -0.30774E+01 693 0.302E+01 0.119E+01
DAV: 7 -0.916765140745E+02 0.86860E+00 -0.16725E+00 728 0.615E+00 0.480E+00
DAV: 8 -0.912957359767E+02 0.38078E+00 -0.56495E-01 696 0.405E+00 0.163E+00
DAV: 9 -0.912114881601E+02 0.84248E-01 -0.12791E-01 704 0.154E+00 0.430E-01
DAV: 10 -0.912016626694E+02 0.98255E-02 -0.47145E-02 720 0.110E+00 0.308E-01
DAV: 11 -0.912070767974E+02 -0.54141E-02 -0.16707E-02 616 0.665E-01 0.192E-01
DAV: 12 -0.912092559951E+02 -0.21792E-02 -0.28071E-03 626 0.238E-01 0.130E-01
DAV: 13 -0.912135337478E+02 -0.42778E-02 -0.35245E-03 653 0.313E-01 0.626E-02
DAV: 14 -0.912159360118E+02 -0.24023E-02 -0.53627E-04 664 0.146E-01 0.291E-02
DAV: 15 -0.912185223900E+02 -0.25864E-02 -0.32026E-04 631 0.730E-02 0.237E-02
DAV: 16 -0.912192693300E+02 -0.74694E-03 -0.66850E-05 688 0.467E-02 0.862E-03
DAV: 17 -0.912200889418E+02 -0.81961E-03 -0.10791E-04 625 0.436E-02 0.119E-02
DAV: 18 -0.912201781309E+02 -0.89189E-04 -0.53271E-06 528 0.205E-02 0.768E-03
DAV: 19 -0.912203044413E+02 -0.12631E-03 -0.46867E-05 595 0.362E-02 0.831E-03
DAV: 20 -0.912203057337E+02 -0.12924E-05 -0.27629E-06 536 0.143E-02
1 F= -.91220306E+02 E0= -.91225254E+02 d E =0.148455E-01