./iterations/neb0_image06_iter222_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 0.372782808101E+03 0.37278E+03 -0.14311E+04 632 0.799E+02
DAV: 2 0.406029359808E+01 -0.36872E+03 -0.35642E+03 874 0.194E+02
DAV: 3 -0.954108780076E+02 -0.99471E+02 -0.99111E+02 656 0.116E+02
DAV: 4 -0.100204715601E+03 -0.47938E+01 -0.47785E+01 728 0.291E+01
DAV: 5 -0.100304610243E+03 -0.99895E-01 -0.99854E-01 733 0.375E+00 0.224E+01
DAV: 6 -0.917698543049E+02 0.85348E+01 -0.30338E+01 712 0.302E+01 0.117E+01
DAV: 7 -0.909515698077E+02 0.81828E+00 -0.17572E+00 712 0.631E+00 0.481E+00
DAV: 8 -0.905765859796E+02 0.37498E+00 -0.56399E-01 704 0.419E+00 0.167E+00
DAV: 9 -0.904872889180E+02 0.89297E-01 -0.12948E-01 712 0.160E+00 0.429E-01
DAV: 10 -0.904770707164E+02 0.10218E-01 -0.36721E-02 736 0.943E-01 0.288E-01
DAV: 11 -0.904812597776E+02 -0.41891E-02 -0.10186E-02 605 0.524E-01 0.157E-01
DAV: 12 -0.904835750861E+02 -0.23153E-02 -0.28879E-03 626 0.306E-01 0.829E-02
DAV: 13 -0.904875191709E+02 -0.39441E-02 -0.16903E-03 620 0.190E-01 0.685E-02
DAV: 14 -0.904908296435E+02 -0.33105E-02 -0.94736E-04 736 0.223E-01 0.374E-02
DAV: 15 -0.904927453847E+02 -0.19157E-02 -0.30060E-04 685 0.991E-02 0.366E-02
DAV: 16 -0.904942976682E+02 -0.15523E-02 -0.35462E-04 714 0.110E-01 0.178E-02
DAV: 17 -0.904950296224E+02 -0.73195E-03 -0.10773E-04 693 0.573E-02 0.135E-02
DAV: 18 -0.904952449137E+02 -0.21529E-03 -0.19671E-05 536 0.192E-02 0.844E-03
DAV: 19 -0.904953962175E+02 -0.15130E-03 -0.26996E-05 487 0.265E-02 0.240E-03
DAV: 20 -0.904954176899E+02 -0.21472E-04 -0.34505E-06 504 0.960E-03 0.240E-03
DAV: 21 -0.904954367242E+02 -0.19034E-04 -0.27360E-06 398 0.771E-03 0.687E-04
DAV: 22 -0.904954393407E+02 -0.26165E-05 -0.64234E-07 458 0.325E-03
1 F= -.90495439E+02 E0= -.90500226E+02 d E =0.143596E-01