./iterations/neb0_image05_iter163_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 0.367853617267E+03 0.36785E+03 -0.14329E+04 632 0.799E+02
DAV: 2 0.178748174585E+01 -0.36607E+03 -0.35288E+03 869 0.194E+02
DAV: 3 -0.952584161618E+02 -0.97046E+02 -0.96711E+02 640 0.115E+02
DAV: 4 -0.999093720876E+02 -0.46510E+01 -0.46406E+01 720 0.295E+01
DAV: 5 -0.100003057797E+03 -0.93686E-01 -0.93643E-01 736 0.373E+00 0.222E+01
DAV: 6 -0.915142594263E+02 0.84888E+01 -0.30230E+01 672 0.296E+01 0.117E+01
DAV: 7 -0.907063948698E+02 0.80786E+00 -0.18312E+00 728 0.634E+00 0.481E+00
DAV: 8 -0.903277458332E+02 0.37865E+00 -0.54255E-01 720 0.427E+00 0.168E+00
DAV: 9 -0.902383249648E+02 0.89421E-01 -0.13541E-01 712 0.165E+00 0.435E-01
DAV: 10 -0.902302851887E+02 0.80398E-02 -0.47949E-02 768 0.130E+00 0.329E-01
DAV: 11 -0.902331068588E+02 -0.28217E-02 -0.61952E-03 632 0.506E-01 0.154E-01
DAV: 12 -0.902360428915E+02 -0.29360E-02 -0.83777E-03 616 0.503E-01 0.141E-01
DAV: 13 -0.902386133631E+02 -0.25705E-02 -0.17996E-03 850 0.343E-01 0.743E-02
DAV: 14 -0.902419304177E+02 -0.33171E-02 -0.14200E-03 636 0.166E-01 0.541E-02
DAV: 15 -0.902449820561E+02 -0.30516E-02 -0.41782E-04 677 0.918E-02 0.462E-02
DAV: 16 -0.902465394555E+02 -0.15574E-02 -0.53803E-04 688 0.132E-01 0.235E-02
DAV: 17 -0.902473315564E+02 -0.79210E-03 -0.93485E-05 677 0.538E-02 0.227E-02
DAV: 18 -0.902477187078E+02 -0.38715E-03 -0.79756E-05 656 0.425E-02 0.952E-03
DAV: 19 -0.902477943833E+02 -0.75676E-04 -0.12288E-05 504 0.208E-02 0.342E-03
DAV: 20 -0.902478645760E+02 -0.70193E-04 -0.89940E-06 418 0.133E-02 0.326E-03
DAV: 21 -0.902478890502E+02 -0.24474E-04 -0.29265E-06 472 0.645E-03 0.263E-03
DAV: 22 -0.902478968795E+02 -0.78293E-05 -0.18757E-06 436 0.696E-03
1 F= -.90247897E+02 E0= -.90255798E+02 d E =0.237023E-01