./iterations/neb0_image02_iter128_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 0.364696274372E+03 0.36470E+03 -0.14330E+04 632 0.799E+02
DAV: 2 0.393070868300E+01 -0.36077E+03 -0.34631E+03 834 0.195E+02
DAV: 3 -0.955974627928E+02 -0.99528E+02 -0.99195E+02 672 0.116E+02
DAV: 4 -0.100214121733E+03 -0.46167E+01 -0.46055E+01 712 0.286E+01
DAV: 5 -0.100303056662E+03 -0.88935E-01 -0.88894E-01 736 0.357E+00 0.222E+01
DAV: 6 -0.916750395263E+02 0.86280E+01 -0.30946E+01 696 0.299E+01 0.117E+01
DAV: 7 -0.908568104866E+02 0.81823E+00 -0.18467E+00 704 0.636E+00 0.483E+00
DAV: 8 -0.904733379952E+02 0.38347E+00 -0.55519E-01 704 0.427E+00 0.169E+00
DAV: 9 -0.903842429738E+02 0.89095E-01 -0.13985E-01 704 0.166E+00 0.433E-01
DAV: 10 -0.903782168077E+02 0.60262E-02 -0.48178E-02 704 0.130E+00 0.324E-01
DAV: 11 -0.903817098239E+02 -0.34930E-02 -0.70675E-03 608 0.495E-01 0.154E-01
DAV: 12 -0.903851147010E+02 -0.34049E-02 -0.79924E-03 632 0.501E-01 0.136E-01
DAV: 13 -0.903878904460E+02 -0.27757E-02 -0.17345E-03 960 0.347E-01 0.815E-02
DAV: 14 -0.903908897979E+02 -0.29994E-02 -0.13363E-03 637 0.171E-01 0.593E-02
DAV: 15 -0.903931592232E+02 -0.22694E-02 -0.40152E-04 661 0.109E-01 0.444E-02
DAV: 16 -0.903946195578E+02 -0.14603E-02 -0.65679E-04 664 0.146E-01 0.314E-02
DAV: 17 -0.903954712677E+02 -0.85171E-03 -0.13653E-04 661 0.772E-02 0.227E-02
DAV: 18 -0.903956697046E+02 -0.19844E-03 -0.62401E-05 688 0.397E-02 0.976E-03
DAV: 19 -0.903958371293E+02 -0.16742E-03 -0.25995E-05 490 0.265E-02 0.308E-03
DAV: 20 -0.903958902103E+02 -0.53081E-04 -0.57959E-06 477 0.125E-02 0.483E-03
DAV: 21 -0.903959217002E+02 -0.31490E-04 -0.46706E-06 437 0.133E-02 0.479E-03
DAV: 22 -0.903959418061E+02 -0.20106E-04 -0.45982E-06 474 0.120E-02 0.304E-03
DAV: 23 -0.903959438771E+02 -0.20711E-05 -0.33644E-06 536 0.110E-02
1 F= -.90395944E+02 E0= -.90401961E+02 d E =0.180519E-01