./iterations/neb0_image09_iter257_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 0.374138553432E+03 0.37414E+03 -0.14281E+04 624 0.799E+02
DAV: 2 0.329870712426E+01 -0.37084E+03 -0.35819E+03 869 0.196E+02
DAV: 3 -0.966627600696E+02 -0.99961E+02 -0.99633E+02 653 0.117E+02
DAV: 4 -0.101280000748E+03 -0.46172E+01 -0.46064E+01 720 0.291E+01
DAV: 5 -0.101371186959E+03 -0.91186E-01 -0.91148E-01 728 0.370E+00 0.227E+01
DAV: 6 -0.926813741219E+02 0.86898E+01 -0.31009E+01 728 0.301E+01 0.119E+01
DAV: 7 -0.918116394478E+02 0.86973E+00 -0.17192E+00 720 0.613E+00 0.479E+00
DAV: 8 -0.914360547836E+02 0.37558E+00 -0.54152E-01 712 0.394E+00 0.163E+00
DAV: 9 -0.913546870773E+02 0.81368E-01 -0.13239E-01 712 0.155E+00 0.422E-01
DAV: 10 -0.913465265843E+02 0.81605E-02 -0.44308E-02 760 0.108E+00 0.301E-01
DAV: 11 -0.913510777270E+02 -0.45511E-02 -0.12607E-02 608 0.584E-01 0.139E-01
DAV: 12 -0.913541693695E+02 -0.30916E-02 -0.27886E-03 623 0.234E-01 0.108E-01
DAV: 13 -0.913577480338E+02 -0.35787E-02 -0.16439E-03 685 0.214E-01 0.424E-02
DAV: 14 -0.913612009117E+02 -0.34529E-02 -0.63492E-04 656 0.147E-01 0.300E-02
DAV: 15 -0.913623629579E+02 -0.11620E-02 -0.11372E-04 704 0.675E-02 0.288E-02
DAV: 16 -0.913637829140E+02 -0.14200E-02 -0.35332E-04 642 0.102E-01 0.215E-02
DAV: 17 -0.913640469808E+02 -0.26407E-03 -0.47320E-05 688 0.529E-02 0.138E-02
DAV: 18 -0.913642439254E+02 -0.19694E-03 -0.50967E-05 637 0.377E-02 0.100E-02
DAV: 19 -0.913643769738E+02 -0.13305E-03 -0.11867E-05 440 0.183E-02 0.528E-03
DAV: 20 -0.913644168028E+02 -0.39829E-04 -0.90543E-06 488 0.160E-02 0.212E-03
DAV: 21 -0.913644379863E+02 -0.21183E-04 -0.42814E-06 429 0.108E-02 0.204E-03
DAV: 22 -0.913644436214E+02 -0.56352E-05 -0.11142E-06 480 0.465E-03
1 F= -.91364444E+02 E0= -.91369247E+02 d E =0.144090E-01