iterations/neb0_image01_iter123_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 0.366526459310E+03 0.36653E+03 -0.14300E+04 624 0.799E+02
DAV: 2 0.337488711771E+01 -0.36315E+03 -0.34990E+03 839 0.195E+02
DAV: 3 -0.957152542381E+02 -0.99090E+02 -0.98746E+02 677 0.116E+02
DAV: 4 -0.100222343665E+03 -0.45071E+01 -0.44974E+01 693 0.282E+01
DAV: 5 -0.100312298983E+03 -0.89955E-01 -0.89904E-01 744 0.354E+00 0.222E+01
DAV: 6 -0.916845364542E+02 0.86278E+01 -0.31123E+01 685 0.299E+01 0.117E+01
DAV: 7 -0.908737989405E+02 0.81074E+00 -0.18247E+00 720 0.636E+00 0.484E+00
DAV: 8 -0.904944478905E+02 0.37935E+00 -0.55636E-01 712 0.428E+00 0.167E+00
DAV: 9 -0.904105251871E+02 0.83923E-01 -0.13567E-01 704 0.164E+00 0.426E-01
DAV: 10 -0.904054144456E+02 0.51107E-02 -0.45655E-02 728 0.124E+00 0.316E-01
DAV: 11 -0.904093313645E+02 -0.39169E-02 -0.67036E-03 608 0.489E-01 0.136E-01
DAV: 12 -0.904129055975E+02 -0.35742E-02 -0.68851E-03 626 0.479E-01 0.128E-01
DAV: 13 -0.904155267234E+02 -0.26211E-02 -0.14826E-03 848 0.311E-01 0.744E-02
DAV: 14 -0.904185137030E+02 -0.29870E-02 -0.13771E-03 642 0.176E-01 0.592E-02
DAV: 15 -0.904204914843E+02 -0.19778E-02 -0.36507E-04 680 0.116E-01 0.460E-02
DAV: 16 -0.904218794898E+02 -0.13880E-02 -0.83208E-04 653 0.170E-01 0.373E-02
DAV: 17 -0.904226579000E+02 -0.77841E-03 -0.16797E-04 797 0.945E-02 0.231E-02
DAV: 18 -0.904228289422E+02 -0.17104E-03 -0.53889E-05 688 0.362E-02 0.131E-02
DAV: 19 -0.904230561105E+02 -0.22717E-03 -0.58846E-05 633 0.388E-02 0.611E-03
DAV: 20 -0.904230781867E+02 -0.22076E-04 -0.51252E-06 480 0.154E-02 0.639E-03
DAV: 21 -0.904231122485E+02 -0.34062E-04 -0.67916E-06 409 0.159E-02 0.532E-03
DAV: 22 -0.904231324446E+02 -0.20196E-04 -0.36883E-06 466 0.126E-02 0.323E-03
DAV: 23 -0.904231347448E+02 -0.23002E-05 -0.48387E-06 528 0.123E-02
1 F= -.90423135E+02 E0= -.90428293E+02 d E =0.154733E-01