iterations/neb0_image07_iter225_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 0.371316182349E+03 0.37132E+03 -0.14324E+04 632 0.799E+02
DAV: 2 0.380195965970E+01 -0.36751E+03 -0.35557E+03 866 0.194E+02
DAV: 3 -0.965490074370E+02 -0.10035E+03 -0.10005E+03 688 0.116E+02
DAV: 4 -0.101102856178E+03 -0.45538E+01 -0.45419E+01 704 0.281E+01
DAV: 5 -0.101193631035E+03 -0.90775E-01 -0.90723E-01 736 0.357E+00 0.227E+01
DAV: 6 -0.925818600414E+02 0.86118E+01 -0.30671E+01 728 0.299E+01 0.119E+01
DAV: 7 -0.917312533422E+02 0.85061E+00 -0.17440E+00 720 0.619E+00 0.480E+00
DAV: 8 -0.913579532242E+02 0.37330E+00 -0.54547E-01 728 0.398E+00 0.161E+00
DAV: 9 -0.912771685345E+02 0.80785E-01 -0.13064E-01 736 0.156E+00 0.420E-01
DAV: 10 -0.912685169054E+02 0.86516E-02 -0.39937E-02 752 0.103E+00 0.285E-01
DAV: 11 -0.912728253597E+02 -0.43085E-02 -0.10916E-02 616 0.545E-01 0.138E-01
DAV: 12 -0.912758600657E+02 -0.30347E-02 -0.24935E-03 624 0.260E-01 0.882E-02
DAV: 13 -0.912796473370E+02 -0.37873E-02 -0.13591E-03 642 0.176E-01 0.544E-02
DAV: 14 -0.912828966901E+02 -0.32494E-02 -0.94396E-04 802 0.234E-01 0.471E-02
DAV: 15 -0.912842318575E+02 -0.13352E-02 -0.35183E-04 680 0.114E-01 0.366E-02
DAV: 16 -0.912852812979E+02 -0.10494E-02 -0.20376E-04 760 0.787E-02 0.146E-02
DAV: 17 -0.912860981930E+02 -0.81690E-03 -0.10783E-04 704 0.512E-02 0.124E-02
DAV: 18 -0.912863825248E+02 -0.28433E-03 -0.23026E-05 552 0.247E-02 0.668E-03
DAV: 19 -0.912865063045E+02 -0.12378E-03 -0.24946E-05 544 0.248E-02 0.424E-03
DAV: 20 -0.912865216460E+02 -0.15342E-04 -0.19987E-06 520 0.115E-02 0.198E-03
DAV: 21 -0.912865414555E+02 -0.19809E-04 -0.41300E-06 415 0.113E-02 0.171E-03
DAV: 22 -0.912865466855E+02 -0.52300E-05 -0.79451E-07 480 0.581E-03
1 F= -.91286547E+02 E0= -.91291775E+02 d E =0.156850E-01