./iterations/neb0_image04_iter16_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 0.359855199488E+03 0.35986E+03 -0.14252E+04 632 0.799E+02
DAV: 2 0.492842249380E+01 -0.35493E+03 -0.34260E+03 842 0.193E+02
DAV: 3 -0.929631205596E+02 -0.97892E+02 -0.97415E+02 664 0.115E+02
DAV: 4 -0.978102233716E+02 -0.48471E+01 -0.48314E+01 712 0.289E+01
DAV: 5 -0.979176907986E+02 -0.10747E+00 -0.10741E+00 728 0.376E+00 0.212E+01
DAV: 6 -0.895793559931E+02 0.83383E+01 -0.30925E+01 701 0.297E+01 0.109E+01
DAV: 7 -0.888552992873E+02 0.72406E+00 -0.16368E+00 728 0.656E+00 0.471E+00
DAV: 8 -0.884917049195E+02 0.36359E+00 -0.60889E-01 720 0.442E+00 0.170E+00
DAV: 9 -0.884055278759E+02 0.86177E-01 -0.13547E-01 712 0.175E+00 0.443E-01
DAV: 10 -0.883979718672E+02 0.75560E-02 -0.30545E-02 744 0.814E-01 0.299E-01
DAV: 11 -0.884026654023E+02 -0.46935E-02 -0.18222E-02 608 0.843E-01 0.219E-01
DAV: 12 -0.884028323485E+02 -0.16695E-03 -0.37756E-03 704 0.393E-01 0.152E-01
DAV: 13 -0.884067314770E+02 -0.38991E-02 -0.78501E-03 687 0.572E-01 0.120E-01
DAV: 14 -0.884089175420E+02 -0.21861E-02 -0.11813E-03 680 0.217E-01 0.908E-02
DAV: 15 -0.884110392735E+02 -0.21217E-02 -0.16446E-03 674 0.236E-01 0.334E-02
DAV: 16 -0.884128756922E+02 -0.18364E-02 -0.27760E-04 669 0.973E-02 0.194E-02
DAV: 17 -0.884136442465E+02 -0.76855E-03 -0.75290E-05 704 0.392E-02 0.129E-02
DAV: 18 -0.884143490542E+02 -0.70481E-03 -0.10663E-04 677 0.572E-02 0.107E-02
DAV: 19 -0.884144810673E+02 -0.13201E-03 -0.13338E-05 504 0.264E-02 0.739E-03
DAV: 20 -0.884145737002E+02 -0.92633E-04 -0.28920E-05 538 0.310E-02 0.629E-03
DAV: 21 -0.884146324489E+02 -0.58749E-04 -0.97892E-06 469 0.235E-02 0.236E-03
DAV: 22 -0.884146569051E+02 -0.24456E-04 -0.73084E-06 468 0.122E-02 0.340E-03
DAV: 23 -0.884146664073E+02 -0.95022E-05 -0.16540E-06 480 0.613E-03
1 F= -.88414666E+02 E0= -.88418632E+02 d E =0.118968E-01