iterations/neb0_image05_iter130_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 0.368792206218E+03 0.36879E+03 -0.14337E+04 640 0.799E+02
DAV: 2 0.394273469629E+01 -0.36485E+03 -0.35198E+03 866 0.193E+02
DAV: 3 -0.942415713129E+02 -0.98184E+02 -0.97783E+02 640 0.116E+02
DAV: 4 -0.990178022723E+02 -0.47762E+01 -0.47630E+01 728 0.300E+01
DAV: 5 -0.991179958852E+02 -0.10019E+00 -0.10015E+00 728 0.387E+00 0.220E+01
DAV: 6 -0.906567141492E+02 0.84613E+01 -0.29312E+01 672 0.293E+01 0.114E+01
DAV: 7 -0.897851590397E+02 0.87156E+00 -0.17882E+00 728 0.662E+00 0.472E+00
DAV: 8 -0.893953424617E+02 0.38982E+00 -0.59122E-01 720 0.438E+00 0.162E+00
DAV: 9 -0.893062230734E+02 0.89119E-01 -0.13864E-01 728 0.167E+00 0.446E-01
DAV: 10 -0.892963385596E+02 0.98845E-02 -0.31136E-02 781 0.931E-01 0.294E-01
DAV: 11 -0.892981933368E+02 -0.18548E-02 -0.68140E-03 640 0.424E-01 0.138E-01
DAV: 12 -0.892999487950E+02 -0.17555E-02 -0.11733E-03 704 0.250E-01 0.101E-01
DAV: 13 -0.893042062660E+02 -0.42575E-02 -0.22110E-03 625 0.278E-01 0.832E-02
DAV: 14 -0.893070799161E+02 -0.28737E-02 -0.45766E-04 744 0.131E-01 0.472E-02
DAV: 15 -0.893102884051E+02 -0.32085E-02 -0.85843E-04 626 0.163E-01 0.361E-02
DAV: 16 -0.893116468510E+02 -0.13584E-02 -0.14592E-04 845 0.923E-02 0.185E-02
DAV: 17 -0.893132849318E+02 -0.16381E-02 -0.27519E-04 628 0.814E-02 0.170E-02
DAV: 18 -0.893136734030E+02 -0.38847E-03 -0.26609E-05 565 0.343E-02 0.114E-02
DAV: 19 -0.893139026299E+02 -0.22923E-03 -0.74030E-05 628 0.513E-02 0.952E-03
DAV: 20 -0.893139618283E+02 -0.59198E-04 -0.70795E-06 512 0.238E-02 0.554E-03
DAV: 21 -0.893140246575E+02 -0.62829E-04 -0.17052E-05 443 0.211E-02 0.308E-03
DAV: 22 -0.893140393607E+02 -0.14703E-04 -0.34224E-06 496 0.101E-02 0.283E-03
DAV: 23 -0.893140454313E+02 -0.60706E-05 -0.15411E-06 417 0.817E-03
1 F= -.89314045E+02 E0= -.89322270E+02 d E =0.246722E-01