iterations/neb0_image04_iter97_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 0.370388159781E+03 0.37039E+03 -0.14313E+04 632 0.799E+02
DAV: 2 0.431453498075E+01 -0.36607E+03 -0.35310E+03 850 0.195E+02
DAV: 3 -0.954165590225E+02 -0.99731E+02 -0.99414E+02 685 0.116E+02
DAV: 4 -0.998070650186E+02 -0.43905E+01 -0.43799E+01 704 0.278E+01
DAV: 5 -0.998921884333E+02 -0.85123E-01 -0.85085E-01 728 0.349E+00 0.222E+01
DAV: 6 -0.914065187640E+02 0.84857E+01 -0.30006E+01 693 0.294E+01 0.116E+01
DAV: 7 -0.905584944557E+02 0.84802E+00 -0.17344E+00 712 0.625E+00 0.479E+00
DAV: 8 -0.901620197631E+02 0.39647E+00 -0.55455E-01 728 0.422E+00 0.165E+00
DAV: 9 -0.900672837292E+02 0.94736E-01 -0.13395E-01 720 0.175E+00 0.436E-01
DAV: 10 -0.900579632898E+02 0.93204E-02 -0.57023E-02 704 0.135E+00 0.348E-01
DAV: 11 -0.900620056533E+02 -0.40424E-02 -0.13737E-02 616 0.686E-01 0.138E-01
DAV: 12 -0.900639841311E+02 -0.19785E-02 -0.45856E-03 647 0.307E-01 0.136E-01
DAV: 13 -0.900676438734E+02 -0.36597E-02 -0.23296E-03 853 0.371E-01 0.747E-02
DAV: 14 -0.900711768911E+02 -0.35330E-02 -0.12413E-03 650 0.169E-01 0.634E-02
DAV: 15 -0.900734918788E+02 -0.23150E-02 -0.33461E-04 733 0.114E-01 0.367E-02
DAV: 16 -0.900751865859E+02 -0.16947E-02 -0.56891E-04 677 0.129E-01 0.320E-02
DAV: 17 -0.900761229315E+02 -0.93635E-03 -0.17468E-04 839 0.848E-02 0.149E-02
DAV: 18 -0.900764318127E+02 -0.30888E-03 -0.47294E-05 600 0.328E-02 0.718E-03
DAV: 19 -0.900765989126E+02 -0.16710E-03 -0.20882E-05 505 0.181E-02 0.517E-03
DAV: 20 -0.900766149761E+02 -0.16064E-04 -0.19979E-06 536 0.815E-03 0.401E-03
DAV: 21 -0.900766592981E+02 -0.44322E-04 -0.61465E-06 403 0.123E-02 0.180E-03
DAV: 22 -0.900766661037E+02 -0.68056E-05 -0.22410E-06 496 0.789E-03
1 F= -.90076666E+02 E0= -.90080667E+02 d E =0.120021E-01