./iterations/neb0_image07_iter23_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 0.369254234341E+03 0.36925E+03 -0.14282E+04 632 0.799E+02
DAV: 2 0.321910159881E+01 -0.36604E+03 -0.35331E+03 861 0.194E+02
DAV: 3 -0.953574217344E+02 -0.98577E+02 -0.98216E+02 648 0.116E+02
DAV: 4 -0.999940414804E+02 -0.46366E+01 -0.46235E+01 728 0.293E+01
DAV: 5 -0.100087323901E+03 -0.93282E-01 -0.93249E-01 736 0.373E+00 0.222E+01
DAV: 6 -0.915508754143E+02 0.85364E+01 -0.30770E+01 696 0.304E+01 0.115E+01
DAV: 7 -0.907525556711E+02 0.79832E+00 -0.16519E+00 720 0.628E+00 0.474E+00
DAV: 8 -0.903876723746E+02 0.36488E+00 -0.54668E-01 688 0.405E+00 0.165E+00
DAV: 9 -0.903019534131E+02 0.85719E-01 -0.12918E-01 717 0.159E+00 0.432E-01
DAV: 10 -0.902922969979E+02 0.96564E-02 -0.31700E-02 728 0.872E-01 0.278E-01
DAV: 11 -0.902968794152E+02 -0.45824E-02 -0.12650E-02 605 0.659E-01 0.188E-01
DAV: 12 -0.902978431773E+02 -0.96376E-03 -0.27656E-03 704 0.340E-01 0.997E-02
DAV: 13 -0.903028175593E+02 -0.49744E-02 -0.43716E-03 638 0.402E-01 0.984E-02
DAV: 14 -0.903040148903E+02 -0.11973E-02 -0.64279E-04 888 0.219E-01 0.550E-02
DAV: 15 -0.903066865821E+02 -0.26717E-02 -0.93042E-04 623 0.180E-01 0.309E-02
DAV: 16 -0.903085134880E+02 -0.18269E-02 -0.17376E-04 669 0.723E-02 0.270E-02
DAV: 17 -0.903095319859E+02 -0.10185E-02 -0.16809E-04 717 0.761E-02 0.962E-03
DAV: 18 -0.903100096870E+02 -0.47770E-03 -0.56717E-05 658 0.375E-02 0.116E-02
DAV: 19 -0.903101434046E+02 -0.13372E-03 -0.92680E-06 496 0.165E-02 0.816E-03
DAV: 20 -0.903102182853E+02 -0.74881E-04 -0.20888E-05 476 0.263E-02 0.288E-03
DAV: 21 -0.903102436377E+02 -0.25352E-04 -0.35112E-06 469 0.107E-02 0.267E-03
DAV: 22 -0.903102509760E+02 -0.73383E-05 -0.12087E-06 439 0.478E-03
1 F= -.90310251E+02 E0= -.90315989E+02 d E =0.172141E-01