iterations/neb0_image01_iter37_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 0.366710729443E+03 0.36671E+03 -0.14299E+04 624 0.799E+02
DAV: 2 0.311453126300E+01 -0.36360E+03 -0.35025E+03 847 0.195E+02
DAV: 3 -0.956575722431E+02 -0.98772E+02 -0.98426E+02 672 0.116E+02
DAV: 4 -0.100197447988E+03 -0.45399E+01 -0.45300E+01 685 0.286E+01
DAV: 5 -0.100287800432E+03 -0.90352E-01 -0.90298E-01 736 0.360E+00 0.222E+01
DAV: 6 -0.916561012515E+02 0.86317E+01 -0.31103E+01 712 0.298E+01 0.117E+01
DAV: 7 -0.908389475717E+02 0.81715E+00 -0.18382E+00 720 0.636E+00 0.483E+00
DAV: 8 -0.904571812220E+02 0.38177E+00 -0.56126E-01 704 0.429E+00 0.168E+00
DAV: 9 -0.903706412988E+02 0.86540E-01 -0.13744E-01 704 0.165E+00 0.429E-01
DAV: 10 -0.903648108740E+02 0.58304E-02 -0.44795E-02 736 0.124E+00 0.314E-01
DAV: 11 -0.903686472627E+02 -0.38364E-02 -0.66291E-03 605 0.472E-01 0.143E-01
DAV: 12 -0.903721011304E+02 -0.34539E-02 -0.66260E-03 618 0.470E-01 0.125E-01
DAV: 13 -0.903748217296E+02 -0.27206E-02 -0.12641E-03 848 0.294E-01 0.758E-02
DAV: 14 -0.903778078360E+02 -0.29861E-02 -0.14111E-03 637 0.180E-01 0.558E-02
DAV: 15 -0.903799044970E+02 -0.20967E-02 -0.33294E-04 680 0.113E-01 0.412E-02
DAV: 16 -0.903813180997E+02 -0.14136E-02 -0.64399E-04 661 0.147E-01 0.337E-02
DAV: 17 -0.903821287948E+02 -0.81070E-03 -0.16639E-04 850 0.931E-02 0.190E-02
DAV: 18 -0.903822921325E+02 -0.16334E-03 -0.34013E-05 680 0.319E-02 0.123E-02
DAV: 19 -0.903825460678E+02 -0.25394E-03 -0.55538E-05 576 0.388E-02 0.532E-03
DAV: 20 -0.903825632403E+02 -0.17173E-04 -0.55904E-06 496 0.134E-02 0.600E-03
DAV: 21 -0.903826011647E+02 -0.37924E-04 -0.48461E-06 419 0.143E-02 0.326E-03
DAV: 22 -0.903826244084E+02 -0.23244E-04 -0.55542E-06 461 0.124E-02 0.243E-03
DAV: 23 -0.903826272460E+02 -0.28376E-05 -0.13600E-06 520 0.665E-03
1 F= -.90382627E+02 E0= -.90387717E+02 d E =0.152702E-01