./iterations/neb0_image07_iter89_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 0.376609116539E+03 0.37661E+03 -0.14276E+04 624 0.799E+02
DAV: 2 0.343790273605E+01 -0.37317E+03 -0.36114E+03 877 0.196E+02
DAV: 3 -0.963332669103E+02 -0.99771E+02 -0.99442E+02 664 0.117E+02
DAV: 4 -0.100871264729E+03 -0.45380E+01 -0.45272E+01 696 0.287E+01
DAV: 5 -0.100962403468E+03 -0.91139E-01 -0.91100E-01 728 0.366E+00 0.226E+01
DAV: 6 -0.923640697650E+02 0.85983E+01 -0.30701E+01 709 0.303E+01 0.119E+01
DAV: 7 -0.915019063672E+02 0.86216E+00 -0.16656E+00 728 0.615E+00 0.481E+00
DAV: 8 -0.911205194562E+02 0.38139E+00 -0.56642E-01 704 0.406E+00 0.163E+00
DAV: 9 -0.910364325969E+02 0.84087E-01 -0.13178E-01 728 0.155E+00 0.427E-01
DAV: 10 -0.910268954056E+02 0.95372E-02 -0.46657E-02 717 0.110E+00 0.305E-01
DAV: 11 -0.910314499267E+02 -0.45545E-02 -0.11646E-02 608 0.561E-01 0.137E-01
DAV: 12 -0.910347374787E+02 -0.32876E-02 -0.36890E-03 630 0.285E-01 0.145E-01
DAV: 13 -0.910383416192E+02 -0.36041E-02 -0.24613E-03 741 0.311E-01 0.535E-02
DAV: 14 -0.910409435202E+02 -0.26019E-02 -0.65053E-04 645 0.119E-01 0.573E-02
DAV: 15 -0.910434823608E+02 -0.25388E-02 -0.28274E-04 653 0.840E-02 0.345E-02
DAV: 16 -0.910445891280E+02 -0.11068E-02 -0.38019E-04 680 0.963E-02 0.271E-02
DAV: 17 -0.910451430216E+02 -0.55389E-03 -0.12054E-04 637 0.704E-02 0.103E-02
DAV: 18 -0.910452856894E+02 -0.14267E-03 -0.24131E-05 560 0.261E-02 0.796E-03
DAV: 19 -0.910453754836E+02 -0.89794E-04 -0.19256E-05 477 0.281E-02 0.322E-03
DAV: 20 -0.910454058897E+02 -0.30406E-04 -0.67554E-06 496 0.136E-02 0.449E-03
DAV: 21 -0.910454179099E+02 -0.12020E-04 -0.15194E-06 440 0.729E-03 0.314E-03
DAV: 22 -0.910454284037E+02 -0.10494E-04 -0.34757E-06 403 0.125E-02 0.156E-03
DAV: 23 -0.910454298100E+02 -0.14063E-05 -0.86246E-07 517 0.511E-03
1 F= -.91045430E+02 E0= -.91050506E+02 d E =0.152294E-01