iterations/neb0_image02_iter29_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 0.367987800632E+03 0.36799E+03 -0.14298E+04 624 0.799E+02
DAV: 2 0.428539531128E+01 -0.36370E+03 -0.34900E+03 839 0.195E+02
DAV: 3 -0.956228255625E+02 -0.99908E+02 -0.99570E+02 680 0.116E+02
DAV: 4 -0.100136712236E+03 -0.45139E+01 -0.45031E+01 712 0.282E+01
DAV: 5 -0.100222372136E+03 -0.85660E-01 -0.85618E-01 728 0.351E+00 0.222E+01
DAV: 6 -0.915664338924E+02 0.86559E+01 -0.30913E+01 712 0.300E+01 0.117E+01
DAV: 7 -0.907379180887E+02 0.82852E+00 -0.18376E+00 712 0.632E+00 0.482E+00
DAV: 8 -0.903489630770E+02 0.38896E+00 -0.56028E-01 696 0.429E+00 0.171E+00
DAV: 9 -0.902560620012E+02 0.92901E-01 -0.14539E-01 696 0.170E+00 0.440E-01
DAV: 10 -0.902491441729E+02 0.69178E-02 -0.42554E-02 712 0.123E+00 0.311E-01
DAV: 11 -0.902527070971E+02 -0.35629E-02 -0.64167E-03 616 0.457E-01 0.151E-01
DAV: 12 -0.902560982152E+02 -0.33911E-02 -0.68376E-03 616 0.476E-01 0.127E-01
DAV: 13 -0.902589009817E+02 -0.28028E-02 -0.12828E-03 917 0.306E-01 0.718E-02
DAV: 14 -0.902622136136E+02 -0.33126E-02 -0.13529E-03 637 0.173E-01 0.533E-02
DAV: 15 -0.902644571825E+02 -0.22436E-02 -0.31232E-04 661 0.110E-01 0.357E-02
DAV: 16 -0.902660720832E+02 -0.16149E-02 -0.64060E-04 653 0.140E-01 0.363E-02
DAV: 17 -0.902667439128E+02 -0.67183E-03 -0.10797E-04 736 0.726E-02 0.219E-02
DAV: 18 -0.902669928474E+02 -0.24893E-03 -0.62598E-05 656 0.417E-02 0.787E-03
DAV: 19 -0.902672198866E+02 -0.22704E-03 -0.35741E-05 578 0.304E-02 0.638E-03
DAV: 20 -0.902672713731E+02 -0.51486E-04 -0.40775E-06 488 0.122E-02 0.617E-03
DAV: 21 -0.902673317019E+02 -0.60329E-04 -0.13884E-05 446 0.212E-02 0.315E-03
DAV: 22 -0.902673369401E+02 -0.52383E-05 -0.50214E-06 512 0.126E-02
1 F= -.90267337E+02 E0= -.90273831E+02 d E =0.194822E-01