./iterations/neb0_image07_iter143_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 0.372585884249E+03 0.37259E+03 -0.14318E+04 632 0.799E+02
DAV: 2 0.389015235020E+01 -0.36870E+03 -0.35640E+03 869 0.194E+02
DAV: 3 -0.964792536743E+02 -0.10037E+03 -0.10005E+03 688 0.116E+02
DAV: 4 -0.101047919206E+03 -0.45687E+01 -0.45554E+01 696 0.281E+01
DAV: 5 -0.101139955631E+03 -0.92036E-01 -0.91987E-01 736 0.357E+00 0.227E+01
DAV: 6 -0.925319988565E+02 0.86080E+01 -0.30632E+01 704 0.300E+01 0.119E+01
DAV: 7 -0.916758005995E+02 0.85620E+00 -0.16907E+00 720 0.615E+00 0.480E+00
DAV: 8 -0.913007031078E+02 0.37510E+00 -0.54219E-01 720 0.398E+00 0.163E+00
DAV: 9 -0.912188725298E+02 0.81831E-01 -0.12787E-01 725 0.155E+00 0.423E-01
DAV: 10 -0.912098631103E+02 0.90094E-02 -0.42309E-02 733 0.107E+00 0.295E-01
DAV: 11 -0.912146382998E+02 -0.47752E-02 -0.12886E-02 608 0.589E-01 0.156E-01
DAV: 12 -0.912172283809E+02 -0.25901E-02 -0.25565E-03 620 0.247E-01 0.963E-02
DAV: 13 -0.912210457922E+02 -0.38174E-02 -0.15247E-03 634 0.199E-01 0.460E-02
DAV: 14 -0.912239576343E+02 -0.29118E-02 -0.50359E-04 728 0.150E-01 0.303E-02
DAV: 15 -0.912259224797E+02 -0.19648E-02 -0.32792E-04 656 0.967E-02 0.339E-02
DAV: 16 -0.912271063476E+02 -0.11839E-02 -0.19654E-04 680 0.684E-02 0.837E-03
DAV: 17 -0.912277228482E+02 -0.61650E-03 -0.52287E-05 608 0.301E-02 0.967E-03
DAV: 18 -0.912280092269E+02 -0.28638E-03 -0.33183E-05 581 0.253E-02 0.590E-03
DAV: 19 -0.912280627858E+02 -0.53559E-04 -0.74200E-06 496 0.153E-02 0.300E-03
DAV: 20 -0.912280748193E+02 -0.12034E-04 -0.30950E-06 472 0.106E-02 0.215E-03
DAV: 21 -0.912280908794E+02 -0.16060E-04 -0.20022E-06 407 0.687E-03 0.143E-03
DAV: 22 -0.912280961241E+02 -0.52447E-05 -0.94002E-07 469 0.445E-03
1 F= -.91228096E+02 E0= -.91232494E+02 d E =0.131943E-01