./iterations/neb0_image05_iter114_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 0.372080984477E+03 0.37208E+03 -0.14296E+04 632 0.799E+02
DAV: 2 0.414520734259E+01 -0.36794E+03 -0.35573E+03 874 0.194E+02
DAV: 3 -0.940846598358E+02 -0.98230E+02 -0.97864E+02 637 0.116E+02
DAV: 4 -0.987850439723E+02 -0.47004E+01 -0.46878E+01 704 0.297E+01
DAV: 5 -0.988862236868E+02 -0.10118E+00 -0.10112E+00 728 0.386E+00 0.218E+01
DAV: 6 -0.905587966641E+02 0.83274E+01 -0.28715E+01 677 0.288E+01 0.112E+01
DAV: 7 -0.896885067449E+02 0.87029E+00 -0.17863E+00 736 0.667E+00 0.469E+00
DAV: 8 -0.892985010496E+02 0.39001E+00 -0.62314E-01 704 0.447E+00 0.156E+00
DAV: 9 -0.892163560964E+02 0.82145E-01 -0.12495E-01 728 0.166E+00 0.446E-01
DAV: 10 -0.892049468135E+02 0.11409E-01 -0.51687E-02 733 0.123E+00 0.344E-01
DAV: 11 -0.892067996467E+02 -0.18528E-02 -0.12028E-02 656 0.628E-01 0.123E-01
DAV: 12 -0.892085477399E+02 -0.17481E-02 -0.34034E-03 671 0.311E-01 0.125E-01
DAV: 13 -0.892141690452E+02 -0.56213E-02 -0.27227E-03 682 0.359E-01 0.708E-02
DAV: 14 -0.892167361477E+02 -0.25671E-02 -0.85348E-04 680 0.145E-01 0.547E-02
DAV: 15 -0.892196605013E+02 -0.29244E-02 -0.86497E-04 645 0.173E-01 0.328E-02
DAV: 16 -0.892207781630E+02 -0.11177E-02 -0.12772E-04 704 0.662E-02 0.239E-02
DAV: 17 -0.892218525666E+02 -0.10744E-02 -0.17645E-04 660 0.660E-02 0.106E-02
DAV: 18 -0.892223075264E+02 -0.45496E-03 -0.51848E-05 685 0.363E-02 0.758E-03
DAV: 19 -0.892224137638E+02 -0.10624E-03 -0.82332E-06 496 0.170E-02 0.421E-03
DAV: 20 -0.892225196312E+02 -0.10587E-03 -0.23704E-05 487 0.253E-02 0.661E-03
DAV: 21 -0.892225473968E+02 -0.27766E-04 -0.44923E-06 488 0.133E-02 0.371E-03
DAV: 22 -0.892225542361E+02 -0.68393E-05 -0.54066E-06 472 0.124E-02
1 F= -.89222554E+02 E0= -.89226545E+02 d E =0.119723E-01