./iterations/neb0_image04_iter159_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 0.364097881252E+03 0.36410E+03 -0.14356E+04 640 0.799E+02
DAV: 2 0.943432295379E+00 -0.36315E+03 -0.35032E+03 877 0.194E+02
DAV: 3 -0.958461642279E+02 -0.96790E+02 -0.96470E+02 658 0.115E+02
DAV: 4 -0.100163350608E+03 -0.43172E+01 -0.43076E+01 712 0.281E+01
DAV: 5 -0.100244882931E+03 -0.81532E-01 -0.81501E-01 736 0.351E+00 0.223E+01
DAV: 6 -0.915592176043E+02 0.86857E+01 -0.30831E+01 688 0.298E+01 0.117E+01
DAV: 7 -0.907066475010E+02 0.85257E+00 -0.17925E+00 712 0.627E+00 0.482E+00
DAV: 8 -0.903044097334E+02 0.40224E+00 -0.54833E-01 704 0.417E+00 0.165E+00
DAV: 9 -0.902074383295E+02 0.96971E-01 -0.13427E-01 720 0.163E+00 0.434E-01
DAV: 10 -0.901985918230E+02 0.88465E-02 -0.49760E-02 704 0.118E+00 0.342E-01
DAV: 11 -0.902030433712E+02 -0.44515E-02 -0.86087E-03 624 0.658E-01 0.128E-01
DAV: 12 -0.902059739000E+02 -0.29305E-02 -0.57643E-03 642 0.371E-01 0.154E-01
DAV: 13 -0.902080116414E+02 -0.20377E-02 -0.19309E-03 760 0.302E-01 0.765E-02
DAV: 14 -0.902128648486E+02 -0.48532E-02 -0.17459E-03 617 0.207E-01 0.695E-02
DAV: 15 -0.902151440603E+02 -0.22792E-02 -0.33899E-04 848 0.131E-01 0.436E-02
DAV: 16 -0.902167069725E+02 -0.15629E-02 -0.59200E-04 655 0.134E-01 0.314E-02
DAV: 17 -0.902175044034E+02 -0.79743E-03 -0.15080E-04 925 0.913E-02 0.160E-02
DAV: 18 -0.902179558156E+02 -0.45141E-03 -0.44483E-05 600 0.347E-02 0.107E-02
DAV: 19 -0.902183320496E+02 -0.37623E-03 -0.50229E-05 580 0.276E-02 0.349E-03
DAV: 20 -0.902184027004E+02 -0.70651E-04 -0.44418E-06 504 0.991E-03 0.233E-03
DAV: 21 -0.902184776427E+02 -0.74942E-04 -0.12001E-05 458 0.122E-02 0.171E-03
DAV: 22 -0.902184805718E+02 -0.29291E-05 -0.10388E-06 536 0.467E-03
1 F= -.90218481E+02 E0= -.90227317E+02 d E =0.265080E-01