iterations/neb0_image04_iter78_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 0.371111147378E+03 0.37111E+03 -0.14317E+04 632 0.799E+02
DAV: 2 0.450503152809E+01 -0.36661E+03 -0.35379E+03 850 0.195E+02
DAV: 3 -0.954894627731E+02 -0.99994E+02 -0.99685E+02 690 0.117E+02
DAV: 4 -0.997944020182E+02 -0.43049E+01 -0.42947E+01 712 0.274E+01
DAV: 5 -0.998765120552E+02 -0.82110E-01 -0.82075E-01 728 0.342E+00 0.222E+01
DAV: 6 -0.913828609304E+02 0.84937E+01 -0.29997E+01 671 0.295E+01 0.116E+01
DAV: 7 -0.905265450857E+02 0.85632E+00 -0.17279E+00 720 0.625E+00 0.479E+00
DAV: 8 -0.901288695445E+02 0.39768E+00 -0.55427E-01 712 0.423E+00 0.165E+00
DAV: 9 -0.900345383466E+02 0.94331E-01 -0.13654E-01 712 0.171E+00 0.434E-01
DAV: 10 -0.900254204377E+02 0.91179E-02 -0.55180E-02 728 0.130E+00 0.341E-01
DAV: 11 -0.900294729799E+02 -0.40525E-02 -0.11879E-02 610 0.619E-01 0.131E-01
DAV: 12 -0.900320322392E+02 -0.25593E-02 -0.42329E-03 634 0.295E-01 0.127E-01
DAV: 13 -0.900357442214E+02 -0.37120E-02 -0.16610E-03 850 0.320E-01 0.687E-02
DAV: 14 -0.900389692761E+02 -0.32251E-02 -0.10398E-03 645 0.150E-01 0.532E-02
DAV: 15 -0.900416339093E+02 -0.26646E-02 -0.39409E-04 706 0.109E-01 0.374E-02
DAV: 16 -0.900430027522E+02 -0.13688E-02 -0.47441E-04 688 0.116E-01 0.303E-02
DAV: 17 -0.900438152290E+02 -0.81248E-03 -0.19713E-04 847 0.912E-02 0.136E-02
DAV: 18 -0.900440374214E+02 -0.22219E-03 -0.32247E-05 616 0.356E-02 0.709E-03
DAV: 19 -0.900442182165E+02 -0.18080E-03 -0.29031E-05 526 0.223E-02 0.377E-03
DAV: 20 -0.900442292856E+02 -0.11069E-04 -0.15708E-06 528 0.916E-03 0.301E-03
DAV: 21 -0.900442837419E+02 -0.54456E-04 -0.10145E-05 400 0.176E-02 0.400E-03
DAV: 22 -0.900442861974E+02 -0.24555E-05 -0.15501E-06 520 0.961E-03
1 F= -.90044286E+02 E0= -.90048469E+02 d E =0.125473E-01