./iterations/neb0_image06_iter232_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 0.372707307531E+03 0.37271E+03 -0.14314E+04 632 0.799E+02
DAV: 2 0.421311116675E+01 -0.36849E+03 -0.35613E+03 866 0.194E+02
DAV: 3 -0.953559080568E+02 -0.99569E+02 -0.99198E+02 664 0.116E+02
DAV: 4 -0.100096776783E+03 -0.47409E+01 -0.47250E+01 720 0.288E+01
DAV: 5 -0.100196157050E+03 -0.99380E-01 -0.99327E-01 712 0.370E+00 0.224E+01
DAV: 6 -0.916987093147E+02 0.84974E+01 -0.30099E+01 696 0.301E+01 0.117E+01
DAV: 7 -0.908817387877E+02 0.81697E+00 -0.17305E+00 720 0.630E+00 0.480E+00
DAV: 8 -0.905084843659E+02 0.37325E+00 -0.56921E-01 704 0.422E+00 0.165E+00
DAV: 9 -0.904217343502E+02 0.86750E-01 -0.12799E-01 728 0.160E+00 0.430E-01
DAV: 10 -0.904116232498E+02 0.10111E-01 -0.35543E-02 712 0.923E-01 0.287E-01
DAV: 11 -0.904156833722E+02 -0.40601E-02 -0.97059E-03 602 0.510E-01 0.152E-01
DAV: 12 -0.904180390828E+02 -0.23557E-02 -0.29661E-03 648 0.310E-01 0.830E-02
DAV: 13 -0.904218386790E+02 -0.37996E-02 -0.16505E-03 614 0.187E-01 0.701E-02
DAV: 14 -0.904251670608E+02 -0.33284E-02 -0.97763E-04 666 0.221E-01 0.360E-02
DAV: 15 -0.904270442161E+02 -0.18772E-02 -0.28255E-04 728 0.976E-02 0.354E-02
DAV: 16 -0.904286451869E+02 -0.16010E-02 -0.33758E-04 661 0.108E-01 0.162E-02
DAV: 17 -0.904293902564E+02 -0.74507E-03 -0.96380E-05 717 0.542E-02 0.129E-02
DAV: 18 -0.904296004613E+02 -0.21020E-03 -0.19528E-05 536 0.188E-02 0.707E-03
DAV: 19 -0.904297339847E+02 -0.13352E-03 -0.24759E-05 514 0.244E-02 0.301E-03
DAV: 20 -0.904297509572E+02 -0.16973E-04 -0.24473E-06 504 0.876E-03 0.236E-03
DAV: 21 -0.904297673210E+02 -0.16364E-04 -0.29893E-06 398 0.894E-03 0.673E-04
DAV: 22 -0.904297691103E+02 -0.17893E-05 -0.51238E-07 461 0.362E-03
1 F= -.90429769E+02 E0= -.90434348E+02 d E =0.137356E-01