iterations/neb0_image01_iter210_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 0.365700482334E+03 0.36570E+03 -0.14300E+04 624 0.799E+02
DAV: 2 0.322427781746E+01 -0.36248E+03 -0.34946E+03 839 0.196E+02
DAV: 3 -0.954349439608E+02 -0.98659E+02 -0.98315E+02 645 0.116E+02
DAV: 4 -0.100231574752E+03 -0.47966E+01 -0.47849E+01 704 0.297E+01
DAV: 5 -0.100327260741E+03 -0.95686E-01 -0.95636E-01 728 0.376E+00 0.222E+01
DAV: 6 -0.916951056957E+02 0.86322E+01 -0.30910E+01 688 0.299E+01 0.117E+01
DAV: 7 -0.908872243561E+02 0.80788E+00 -0.18297E+00 712 0.638E+00 0.484E+00
DAV: 8 -0.905111864619E+02 0.37604E+00 -0.55366E-01 704 0.430E+00 0.167E+00
DAV: 9 -0.904289966477E+02 0.82190E-01 -0.13259E-01 720 0.166E+00 0.423E-01
DAV: 10 -0.904244965331E+02 0.45001E-02 -0.47284E-02 720 0.124E+00 0.323E-01
DAV: 11 -0.904285804362E+02 -0.40839E-02 -0.78474E-03 608 0.572E-01 0.120E-01
DAV: 12 -0.904319835497E+02 -0.34031E-02 -0.65961E-03 629 0.449E-01 0.133E-01
DAV: 13 -0.904343953575E+02 -0.24118E-02 -0.16704E-03 861 0.313E-01 0.751E-02
DAV: 14 -0.904375742052E+02 -0.31788E-02 -0.14719E-03 642 0.193E-01 0.695E-02
DAV: 15 -0.904391870262E+02 -0.16128E-02 -0.29780E-04 680 0.112E-01 0.556E-02
DAV: 16 -0.904405718309E+02 -0.13848E-02 -0.10943E-03 669 0.204E-01 0.380E-02
DAV: 17 -0.904413846762E+02 -0.81285E-03 -0.14165E-04 661 0.813E-02 0.334E-02
DAV: 18 -0.904417170646E+02 -0.33239E-03 -0.88025E-05 672 0.468E-02 0.180E-02
DAV: 19 -0.904418890873E+02 -0.17202E-03 -0.95094E-05 645 0.541E-02 0.101E-02
DAV: 20 -0.904419171678E+02 -0.28080E-04 -0.81139E-06 512 0.193E-02 0.975E-03
DAV: 21 -0.904419559714E+02 -0.38804E-04 -0.78389E-06 401 0.154E-02 0.650E-03
DAV: 22 -0.904419648363E+02 -0.88649E-05 -0.53719E-06 480 0.162E-02
1 F= -.90441965E+02 E0= -.90447678E+02 d E =0.171406E-01