./iterations/neb0_image02_iter195_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 0.367063216384E+03 0.36706E+03 -0.14298E+04 624 0.799E+02
DAV: 2 0.259293023786E+01 -0.36447E+03 -0.35255E+03 853 0.196E+02
DAV: 3 -0.957652197523E+02 -0.98358E+02 -0.98030E+02 664 0.116E+02
DAV: 4 -0.100254722314E+03 -0.44895E+01 -0.44790E+01 720 0.284E+01
DAV: 5 -0.100341537162E+03 -0.86815E-01 -0.86778E-01 736 0.356E+00 0.223E+01
DAV: 6 -0.916809300244E+02 0.86606E+01 -0.30991E+01 680 0.299E+01 0.117E+01
DAV: 7 -0.908592499052E+02 0.82168E+00 -0.18379E+00 712 0.637E+00 0.484E+00
DAV: 8 -0.904777415384E+02 0.38151E+00 -0.55502E-01 704 0.431E+00 0.169E+00
DAV: 9 -0.903914179909E+02 0.86324E-01 -0.13678E-01 720 0.167E+00 0.430E-01
DAV: 10 -0.903860930993E+02 0.53249E-02 -0.49686E-02 704 0.128E+00 0.331E-01
DAV: 11 -0.903896303984E+02 -0.35373E-02 -0.77144E-03 616 0.583E-01 0.126E-01
DAV: 12 -0.903926943475E+02 -0.30639E-02 -0.70583E-03 648 0.432E-01 0.135E-01
DAV: 13 -0.903952992181E+02 -0.26049E-02 -0.18728E-03 853 0.340E-01 0.823E-02
DAV: 14 -0.903984700357E+02 -0.31708E-02 -0.13878E-03 623 0.174E-01 0.692E-02
DAV: 15 -0.904003806389E+02 -0.19106E-02 -0.33876E-04 696 0.108E-01 0.513E-02
DAV: 16 -0.904018753106E+02 -0.14947E-02 -0.99998E-04 680 0.184E-01 0.399E-02
DAV: 17 -0.904025691184E+02 -0.69381E-03 -0.15830E-04 800 0.872E-02 0.244E-02
DAV: 18 -0.904028654132E+02 -0.29629E-03 -0.74194E-05 672 0.416E-02 0.890E-03
DAV: 19 -0.904030536978E+02 -0.18828E-03 -0.36077E-05 588 0.298E-02 0.605E-03
DAV: 20 -0.904030859134E+02 -0.32216E-04 -0.35391E-06 504 0.132E-02 0.524E-03
DAV: 21 -0.904031443473E+02 -0.58434E-04 -0.12147E-05 409 0.179E-02 0.350E-03
DAV: 22 -0.904031493676E+02 -0.50204E-05 -0.36544E-06 496 0.117E-02
1 F= -.90403149E+02 E0= -.90410005E+02 d E =0.205665E-01