iterations/neb0_image02_iter265_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 0.366094556256E+03 0.36609E+03 -0.14299E+04 624 0.799E+02
DAV: 2 0.720047535091E+00 -0.36537E+03 -0.35465E+03 869 0.196E+02
DAV: 3 -0.956033991165E+02 -0.96323E+02 -0.95992E+02 624 0.116E+02
DAV: 4 -0.100259739724E+03 -0.46563E+01 -0.46464E+01 720 0.299E+01
DAV: 5 -0.100352610107E+03 -0.92870E-01 -0.92840E-01 736 0.378E+00 0.222E+01
DAV: 6 -0.916803946593E+02 0.86722E+01 -0.30948E+01 685 0.299E+01 0.117E+01
DAV: 7 -0.908557522141E+02 0.82464E+00 -0.18129E+00 720 0.635E+00 0.485E+00
DAV: 8 -0.904752629067E+02 0.38049E+00 -0.55691E-01 704 0.431E+00 0.169E+00
DAV: 9 -0.903912335627E+02 0.84029E-01 -0.13417E-01 720 0.166E+00 0.427E-01
DAV: 10 -0.903869441756E+02 0.42894E-02 -0.48671E-02 712 0.125E+00 0.328E-01
DAV: 11 -0.903907051914E+02 -0.37610E-02 -0.76483E-03 621 0.585E-01 0.119E-01
DAV: 12 -0.903939245318E+02 -0.32193E-02 -0.69747E-03 632 0.436E-01 0.139E-01
DAV: 13 -0.903963315863E+02 -0.24071E-02 -0.20652E-03 877 0.344E-01 0.796E-02
DAV: 14 -0.903994321439E+02 -0.31006E-02 -0.13637E-03 615 0.178E-01 0.719E-02
DAV: 15 -0.904011436557E+02 -0.17115E-02 -0.28694E-04 688 0.980E-02 0.573E-02
DAV: 16 -0.904025607128E+02 -0.14171E-02 -0.10457E-03 672 0.195E-01 0.359E-02
DAV: 17 -0.904031851637E+02 -0.62445E-03 -0.11645E-04 672 0.723E-02 0.315E-02
DAV: 18 -0.904035308461E+02 -0.34568E-03 -0.10887E-04 661 0.537E-02 0.117E-02
DAV: 19 -0.904036959189E+02 -0.16507E-03 -0.50585E-05 647 0.365E-02 0.866E-03
DAV: 20 -0.904037256323E+02 -0.29713E-04 -0.32970E-06 504 0.123E-02 0.708E-03
DAV: 21 -0.904037692076E+02 -0.43575E-04 -0.11748E-05 420 0.200E-02 0.310E-03
DAV: 22 -0.904037740521E+02 -0.48444E-05 -0.45252E-06 504 0.122E-02
1 F= -.90403774E+02 E0= -.90409888E+02 d E =0.183405E-01