iterations/neb0_image08_iter247_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 0.374712061815E+03 0.37471E+03 -0.14288E+04 624 0.799E+02
DAV: 2 0.379249962391E+01 -0.37092E+03 -0.35845E+03 869 0.196E+02
DAV: 3 -0.968147885011E+02 -0.10061E+03 -0.10029E+03 672 0.117E+02
DAV: 4 -0.101313231258E+03 -0.44984E+01 -0.44861E+01 720 0.284E+01
DAV: 5 -0.101399824815E+03 -0.86594E-01 -0.86546E-01 736 0.358E+00 0.228E+01
DAV: 6 -0.926754889349E+02 0.87243E+01 -0.30966E+01 725 0.300E+01 0.119E+01
DAV: 7 -0.917940479676E+02 0.88144E+00 -0.17349E+00 720 0.613E+00 0.480E+00
DAV: 8 -0.914166159127E+02 0.37743E+00 -0.54595E-01 712 0.397E+00 0.161E+00
DAV: 9 -0.913373779379E+02 0.79238E-01 -0.13335E-01 728 0.156E+00 0.420E-01
DAV: 10 -0.913295020766E+02 0.78759E-02 -0.46801E-02 720 0.112E+00 0.310E-01
DAV: 11 -0.913344232630E+02 -0.49212E-02 -0.15833E-02 616 0.654E-01 0.160E-01
DAV: 12 -0.913372101812E+02 -0.27869E-02 -0.29466E-03 620 0.235E-01 0.117E-01
DAV: 13 -0.913409067097E+02 -0.36965E-02 -0.29857E-03 642 0.288E-01 0.588E-02
DAV: 14 -0.913439759319E+02 -0.30692E-02 -0.88883E-04 653 0.172E-01 0.262E-02
DAV: 15 -0.913454254396E+02 -0.14495E-02 -0.17021E-04 672 0.694E-02 0.180E-02
DAV: 16 -0.913465061949E+02 -0.10808E-02 -0.13899E-04 650 0.637E-02 0.101E-02
DAV: 17 -0.913469198210E+02 -0.41363E-03 -0.34168E-05 608 0.272E-02 0.998E-03
DAV: 18 -0.913470963734E+02 -0.17655E-03 -0.24282E-05 533 0.295E-02 0.424E-03
DAV: 19 -0.913471767855E+02 -0.80412E-04 -0.87493E-06 453 0.131E-02 0.310E-03
DAV: 20 -0.913471973482E+02 -0.20563E-04 -0.30686E-06 496 0.824E-03 0.162E-03
DAV: 21 -0.913472093793E+02 -0.12031E-04 -0.20621E-06 412 0.761E-03 0.143E-03
DAV: 22 -0.913472112550E+02 -0.18756E-05 -0.60217E-07 480 0.353E-03
1 F= -.91347211E+02 E0= -.91352227E+02 d E =0.150465E-01