./iterations/neb0_image07_iter14_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 0.365434168799E+03 0.36543E+03 -0.14223E+04 624 0.799E+02
DAV: 2 0.239272807068E+01 -0.36304E+03 -0.35090E+03 874 0.194E+02
DAV: 3 -0.954922957237E+02 -0.97885E+02 -0.97508E+02 709 0.115E+02
DAV: 4 -0.995530018198E+02 -0.40607E+01 -0.40462E+01 736 0.259E+01
DAV: 5 -0.996342912558E+02 -0.81289E-01 -0.81255E-01 728 0.325E+00 0.218E+01
DAV: 6 -0.910667033512E+02 0.85676E+01 -0.31225E+01 704 0.302E+01 0.114E+01
DAV: 7 -0.902399160016E+02 0.82679E+00 -0.16599E+00 728 0.680E+00 0.483E+00
DAV: 8 -0.898622200920E+02 0.37770E+00 -0.72221E-01 712 0.459E+00 0.168E+00
DAV: 9 -0.897787900648E+02 0.83430E-01 -0.14190E-01 717 0.183E+00 0.518E-01
DAV: 10 -0.897686233341E+02 0.10167E-01 -0.23241E-02 720 0.727E-01 0.287E-01
DAV: 11 -0.897708941326E+02 -0.22708E-02 -0.13649E-02 629 0.710E-01 0.174E-01
DAV: 12 -0.897724339679E+02 -0.15398E-02 -0.33146E-03 642 0.409E-01 0.106E-01
DAV: 13 -0.897771364046E+02 -0.47024E-02 -0.39883E-03 628 0.346E-01 0.109E-01
DAV: 14 -0.897794027908E+02 -0.22664E-02 -0.15235E-03 725 0.234E-01 0.549E-02
DAV: 15 -0.897822308627E+02 -0.28281E-02 -0.16837E-03 717 0.264E-01 0.653E-02
DAV: 16 -0.897834944764E+02 -0.12636E-02 -0.42085E-04 941 0.158E-01 0.312E-02
DAV: 17 -0.897840478210E+02 -0.55334E-03 -0.17994E-04 704 0.743E-02 0.119E-02
DAV: 18 -0.897848254524E+02 -0.77763E-03 -0.81401E-05 647 0.410E-02 0.860E-03
DAV: 19 -0.897851289773E+02 -0.30352E-03 -0.23269E-05 613 0.225E-02 0.527E-03
DAV: 20 -0.897852205332E+02 -0.91556E-04 -0.11121E-05 477 0.198E-02 0.249E-03
DAV: 21 -0.897852613084E+02 -0.40775E-04 -0.57826E-06 425 0.103E-02 0.270E-03
DAV: 22 -0.897852673694E+02 -0.60611E-05 -0.11501E-06 504 0.629E-03
1 F= -.89785267E+02 E0= -.89789537E+02 d E =0.128097E-01