./iterations/neb0_image03_iter256_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 0.363100428153E+03 0.36310E+03 -0.14323E+04 632 0.799E+02
DAV: 2 0.516140988880E+00 -0.36258E+03 -0.35211E+03 853 0.195E+02
DAV: 3 -0.961184781859E+02 -0.96635E+02 -0.96337E+02 669 0.115E+02
DAV: 4 -0.100312278856E+03 -0.41938E+01 -0.41843E+01 712 0.275E+01
DAV: 5 -0.100393901869E+03 -0.81623E-01 -0.81598E-01 744 0.345E+00 0.222E+01
DAV: 6 -0.917191536831E+02 0.86747E+01 -0.31375E+01 680 0.300E+01 0.117E+01
DAV: 7 -0.908822545063E+02 0.83690E+00 -0.17963E+00 720 0.635E+00 0.485E+00
DAV: 8 -0.904900103685E+02 0.39224E+00 -0.55704E-01 696 0.429E+00 0.170E+00
DAV: 9 -0.903984507005E+02 0.91560E-01 -0.13421E-01 704 0.168E+00 0.437E-01
DAV: 10 -0.903922843036E+02 0.61664E-02 -0.49792E-02 712 0.124E+00 0.340E-01
DAV: 11 -0.903965303147E+02 -0.42460E-02 -0.85088E-03 688 0.645E-01 0.118E-01
DAV: 12 -0.903999089475E+02 -0.33786E-02 -0.57539E-03 624 0.349E-01 0.127E-01
DAV: 13 -0.904038598694E+02 -0.39509E-02 -0.17512E-03 845 0.316E-01 0.877E-02
DAV: 14 -0.904069863642E+02 -0.31265E-02 -0.12095E-03 653 0.156E-01 0.604E-02
DAV: 15 -0.904091891990E+02 -0.22028E-02 -0.37751E-04 672 0.103E-01 0.333E-02
DAV: 16 -0.904105523182E+02 -0.13631E-02 -0.41819E-04 661 0.108E-01 0.272E-02
DAV: 17 -0.904113559083E+02 -0.80359E-03 -0.16841E-04 714 0.795E-02 0.109E-02
DAV: 18 -0.904115922220E+02 -0.23631E-03 -0.55149E-05 688 0.359E-02 0.115E-02
DAV: 19 -0.904116570124E+02 -0.64790E-04 -0.83304E-06 472 0.209E-02 0.490E-03
DAV: 20 -0.904117281357E+02 -0.71123E-04 -0.25581E-05 565 0.269E-02 0.690E-03
DAV: 21 -0.904117522640E+02 -0.24128E-04 -0.37699E-06 488 0.142E-02 0.349E-03
DAV: 22 -0.904117577220E+02 -0.54580E-05 -0.36924E-06 520 0.101E-02
1 F= -.90411758E+02 E0= -.90419229E+02 d E =0.224146E-01