iterations/neb0_image02_iter138_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 0.364145645608E+03 0.36415E+03 -0.14328E+04 632 0.799E+02
DAV: 2 0.374816539625E+01 -0.36040E+03 -0.34616E+03 837 0.195E+02
DAV: 3 -0.955163853142E+02 -0.99265E+02 -0.98928E+02 664 0.116E+02
DAV: 4 -0.100205821831E+03 -0.46894E+01 -0.46777E+01 720 0.289E+01
DAV: 5 -0.100297068455E+03 -0.91247E-01 -0.91205E-01 736 0.362E+00 0.222E+01
DAV: 6 -0.916717586863E+02 0.86253E+01 -0.30995E+01 688 0.299E+01 0.117E+01
DAV: 7 -0.908605823348E+02 0.81118E+00 -0.18522E+00 704 0.637E+00 0.483E+00
DAV: 8 -0.904788421573E+02 0.38174E+00 -0.55534E-01 704 0.428E+00 0.169E+00
DAV: 9 -0.903904718729E+02 0.88370E-01 -0.13889E-01 712 0.166E+00 0.433E-01
DAV: 10 -0.903847302703E+02 0.57416E-02 -0.50626E-02 704 0.133E+00 0.331E-01
DAV: 11 -0.903880830535E+02 -0.33528E-02 -0.72325E-03 608 0.515E-01 0.155E-01
DAV: 12 -0.903915694894E+02 -0.34864E-02 -0.89025E-03 624 0.522E-01 0.144E-01
DAV: 13 -0.903941991324E+02 -0.26296E-02 -0.21081E-03 912 0.373E-01 0.838E-02
DAV: 14 -0.903972019127E+02 -0.30028E-02 -0.14195E-03 645 0.180E-01 0.658E-02
DAV: 15 -0.903993873757E+02 -0.21855E-02 -0.39992E-04 664 0.107E-01 0.505E-02
DAV: 16 -0.904008927168E+02 -0.15053E-02 -0.81925E-04 664 0.168E-01 0.331E-02
DAV: 17 -0.904017565294E+02 -0.86381E-03 -0.14090E-04 672 0.768E-02 0.262E-02
DAV: 18 -0.904019844803E+02 -0.22795E-03 -0.73382E-05 680 0.426E-02 0.109E-02
DAV: 19 -0.904021532777E+02 -0.16880E-03 -0.38040E-05 626 0.318E-02 0.570E-03
DAV: 20 -0.904021903556E+02 -0.37078E-04 -0.39881E-06 480 0.159E-02 0.611E-03
DAV: 21 -0.904022185127E+02 -0.28157E-04 -0.62845E-06 440 0.147E-02 0.651E-03
DAV: 22 -0.904022415532E+02 -0.23041E-04 -0.46831E-06 461 0.149E-02 0.295E-03
DAV: 23 -0.904022454999E+02 -0.39467E-05 -0.66776E-06 504 0.143E-02
1 F= -.90402245E+02 E0= -.90408324E+02 d E =0.182357E-01