iterations/neb0_image06_iter241_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 0.369661875594E+03 0.36966E+03 -0.14347E+04 640 0.799E+02
DAV: 2 0.368366180675E+01 -0.36598E+03 -0.35391E+03 863 0.193E+02
DAV: 3 -0.951145021897E+02 -0.98798E+02 -0.98423E+02 656 0.116E+02
DAV: 4 -0.999440588204E+02 -0.48296E+01 -0.48139E+01 728 0.291E+01
DAV: 5 -0.100046132623E+03 -0.10207E+00 -0.10202E+00 704 0.375E+00 0.224E+01
DAV: 6 -0.915661568562E+02 0.84800E+01 -0.30019E+01 701 0.301E+01 0.117E+01
DAV: 7 -0.907548272591E+02 0.81133E+00 -0.17196E+00 728 0.630E+00 0.479E+00
DAV: 8 -0.903849486968E+02 0.36988E+00 -0.56193E-01 704 0.418E+00 0.165E+00
DAV: 9 -0.902984156213E+02 0.86533E-01 -0.12702E-01 720 0.160E+00 0.428E-01
DAV: 10 -0.902888571285E+02 0.95585E-02 -0.36300E-02 720 0.933E-01 0.288E-01
DAV: 11 -0.902931246030E+02 -0.42675E-02 -0.10391E-02 602 0.538E-01 0.158E-01
DAV: 12 -0.902951030212E+02 -0.19784E-02 -0.27403E-03 632 0.306E-01 0.843E-02
DAV: 13 -0.902992923390E+02 -0.41893E-02 -0.19815E-03 649 0.219E-01 0.721E-02
DAV: 14 -0.903016161725E+02 -0.23238E-02 -0.51732E-04 856 0.176E-01 0.289E-02
DAV: 15 -0.903043075893E+02 -0.26914E-02 -0.42158E-04 625 0.995E-02 0.328E-02
DAV: 16 -0.903057115874E+02 -0.14040E-02 -0.15513E-04 741 0.775E-02 0.177E-02
DAV: 17 -0.903066099908E+02 -0.89840E-03 -0.18495E-04 653 0.656E-02 0.170E-02
DAV: 18 -0.903068416520E+02 -0.23166E-03 -0.27429E-05 557 0.349E-02 0.812E-03
DAV: 19 -0.903069334889E+02 -0.91837E-04 -0.27835E-05 512 0.308E-02 0.507E-03
DAV: 20 -0.903069579997E+02 -0.24511E-04 -0.44925E-06 514 0.166E-02 0.268E-03
DAV: 21 -0.903069946786E+02 -0.36679E-04 -0.71097E-06 412 0.136E-02 0.245E-03
DAV: 22 -0.903070000304E+02 -0.53518E-05 -0.13445E-06 480 0.109E-02
1 F= -.90307000E+02 E0= -.90311677E+02 d E =0.140310E-01