./iterations/neb0_image07_iter101_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 0.377489400976E+03 0.37749E+03 -0.14283E+04 624 0.799E+02
DAV: 2 0.341461626375E+01 -0.37407E+03 -0.36213E+03 877 0.196E+02
DAV: 3 -0.963753695542E+02 -0.99790E+02 -0.99456E+02 656 0.117E+02
DAV: 4 -0.100982367199E+03 -0.46070E+01 -0.45961E+01 696 0.290E+01
DAV: 5 -0.101074791026E+03 -0.92424E-01 -0.92386E-01 728 0.370E+00 0.228E+01
DAV: 6 -0.924147168959E+02 0.86601E+01 -0.30694E+01 701 0.303E+01 0.119E+01
DAV: 7 -0.915373298361E+02 0.87739E+00 -0.16838E+00 728 0.614E+00 0.481E+00
DAV: 8 -0.911548694867E+02 0.38246E+00 -0.56068E-01 704 0.404E+00 0.163E+00
DAV: 9 -0.910708295526E+02 0.84040E-01 -0.13209E-01 728 0.155E+00 0.427E-01
DAV: 10 -0.910615248712E+02 0.93047E-02 -0.47279E-02 741 0.112E+00 0.308E-01
DAV: 11 -0.910660069159E+02 -0.44820E-02 -0.11830E-02 608 0.572E-01 0.133E-01
DAV: 12 -0.910693204793E+02 -0.33136E-02 -0.36845E-03 621 0.283E-01 0.147E-01
DAV: 13 -0.910730354868E+02 -0.37150E-02 -0.26200E-03 728 0.320E-01 0.552E-02
DAV: 14 -0.910756196414E+02 -0.25842E-02 -0.64671E-04 653 0.118E-01 0.594E-02
DAV: 15 -0.910781748151E+02 -0.25552E-02 -0.29672E-04 653 0.877E-02 0.359E-02
DAV: 16 -0.910792487732E+02 -0.10740E-02 -0.43679E-04 680 0.104E-01 0.306E-02
DAV: 17 -0.910797354869E+02 -0.48671E-03 -0.11907E-04 645 0.715E-02 0.111E-02
DAV: 18 -0.910799042924E+02 -0.16881E-03 -0.28730E-05 600 0.271E-02 0.764E-03
DAV: 19 -0.910799807861E+02 -0.76494E-04 -0.10626E-05 432 0.204E-02 0.264E-03
DAV: 20 -0.910800315156E+02 -0.50730E-04 -0.89766E-06 428 0.146E-02 0.312E-03
DAV: 21 -0.910800398948E+02 -0.83791E-05 -0.13222E-06 528 0.605E-03
1 F= -.91080040E+02 E0= -.91085064E+02 d E =0.150729E-01