./iterations/neb0_image01_iter129_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 0.366240494891E+03 0.36624E+03 -0.14299E+04 624 0.799E+02
DAV: 2 0.333034017141E+01 -0.36291E+03 -0.34974E+03 839 0.195E+02
DAV: 3 -0.957048750410E+02 -0.99035E+02 -0.98692E+02 674 0.116E+02
DAV: 4 -0.100216947225E+03 -0.45121E+01 -0.45020E+01 704 0.282E+01
DAV: 5 -0.100306902595E+03 -0.89955E-01 -0.89908E-01 744 0.354E+00 0.222E+01
DAV: 6 -0.916841550842E+02 0.86227E+01 -0.31100E+01 685 0.299E+01 0.117E+01
DAV: 7 -0.908760036440E+02 0.80815E+00 -0.18262E+00 720 0.638E+00 0.484E+00
DAV: 8 -0.904973803357E+02 0.37862E+00 -0.55819E-01 712 0.429E+00 0.167E+00
DAV: 9 -0.904142247098E+02 0.83156E-01 -0.13551E-01 712 0.164E+00 0.426E-01
DAV: 10 -0.904092114730E+02 0.50132E-02 -0.45121E-02 712 0.123E+00 0.315E-01
DAV: 11 -0.904131366683E+02 -0.39252E-02 -0.65235E-03 608 0.486E-01 0.137E-01
DAV: 12 -0.904167534259E+02 -0.36168E-02 -0.69925E-03 626 0.489E-01 0.130E-01
DAV: 13 -0.904193435414E+02 -0.25901E-02 -0.15479E-03 848 0.315E-01 0.737E-02
DAV: 14 -0.904222998417E+02 -0.29563E-02 -0.13298E-03 639 0.172E-01 0.582E-02
DAV: 15 -0.904242877479E+02 -0.19879E-02 -0.36894E-04 664 0.113E-01 0.462E-02
DAV: 16 -0.904256763370E+02 -0.13886E-02 -0.78966E-04 661 0.167E-01 0.349E-02
DAV: 17 -0.904264271709E+02 -0.75083E-03 -0.14253E-04 733 0.865E-02 0.237E-02
DAV: 18 -0.904266549294E+02 -0.22776E-03 -0.72436E-05 672 0.417E-02 0.109E-02
DAV: 19 -0.904268362921E+02 -0.18136E-03 -0.47315E-05 636 0.339E-02 0.696E-03
DAV: 20 -0.904268554967E+02 -0.19205E-04 -0.32883E-06 520 0.132E-02 0.664E-03
DAV: 21 -0.904268967236E+02 -0.41227E-04 -0.72298E-06 401 0.150E-02 0.440E-03
DAV: 22 -0.904269066702E+02 -0.99466E-05 -0.44618E-06 477 0.140E-02
1 F= -.90426907E+02 E0= -.90432271E+02 d E =0.160926E-01