iterations/neb0_image05_iter180_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 0.369763914505E+03 0.36976E+03 -0.14301E+04 624 0.799E+02
DAV: 2 0.335693448672E+01 -0.36641E+03 -0.35377E+03 861 0.195E+02
DAV: 3 -0.953658339086E+02 -0.98723E+02 -0.98396E+02 661 0.116E+02
DAV: 4 -0.100008822694E+03 -0.46430E+01 -0.46320E+01 704 0.289E+01
DAV: 5 -0.100103120955E+03 -0.94298E-01 -0.94248E-01 728 0.365E+00 0.222E+01
DAV: 6 -0.915685188682E+02 0.85346E+01 -0.30662E+01 672 0.298E+01 0.117E+01
DAV: 7 -0.907767809385E+02 0.79174E+00 -0.18744E+00 736 0.640E+00 0.483E+00
DAV: 8 -0.904021450618E+02 0.37464E+00 -0.53053E-01 728 0.424E+00 0.170E+00
DAV: 9 -0.903117972248E+02 0.90348E-01 -0.13772E-01 720 0.167E+00 0.429E-01
DAV: 10 -0.903039636636E+02 0.78336E-02 -0.48095E-02 752 0.125E+00 0.323E-01
DAV: 11 -0.903075963562E+02 -0.36327E-02 -0.74568E-03 624 0.536E-01 0.129E-01
DAV: 12 -0.903102644321E+02 -0.26681E-02 -0.63172E-03 610 0.437E-01 0.128E-01
DAV: 13 -0.903127798660E+02 -0.25154E-02 -0.16042E-03 888 0.310E-01 0.752E-02
DAV: 14 -0.903162131596E+02 -0.34333E-02 -0.13112E-03 644 0.157E-01 0.529E-02
DAV: 15 -0.903188269454E+02 -0.26138E-02 -0.38170E-04 712 0.989E-02 0.430E-02
DAV: 16 -0.903204052911E+02 -0.15783E-02 -0.57287E-04 685 0.134E-01 0.276E-02
DAV: 17 -0.903211033787E+02 -0.69809E-03 -0.91011E-05 672 0.591E-02 0.271E-02
DAV: 18 -0.903214024488E+02 -0.29907E-03 -0.99191E-05 672 0.556E-02 0.118E-02
DAV: 19 -0.903215172548E+02 -0.11481E-03 -0.22929E-05 496 0.315E-02 0.481E-03
DAV: 20 -0.903215974062E+02 -0.80151E-04 -0.10982E-05 437 0.148E-02 0.424E-03
DAV: 21 -0.903216246452E+02 -0.27239E-04 -0.41400E-06 488 0.104E-02 0.227E-03
DAV: 22 -0.903216362715E+02 -0.11626E-04 -0.27981E-06 434 0.789E-03 0.131E-03
DAV: 23 -0.903216373479E+02 -0.10764E-05 -0.63572E-07 512 0.452E-03
1 F= -.90321637E+02 E0= -.90329501E+02 d E =0.235914E-01