iterations/neb0_image02_iter176_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 0.366680015019E+03 0.36668E+03 -0.14294E+04 624 0.799E+02
DAV: 2 0.178880449718E+01 -0.36489E+03 -0.35356E+03 861 0.195E+02
DAV: 3 -0.958425068434E+02 -0.97631E+02 -0.97299E+02 664 0.116E+02
DAV: 4 -0.100220604206E+03 -0.43781E+01 -0.43683E+01 720 0.282E+01
DAV: 5 -0.100304871581E+03 -0.84267E-01 -0.84241E-01 744 0.353E+00 0.222E+01
DAV: 6 -0.916694445452E+02 0.86354E+01 -0.31085E+01 688 0.300E+01 0.117E+01
DAV: 7 -0.908594296385E+02 0.81001E+00 -0.18368E+00 704 0.637E+00 0.484E+00
DAV: 8 -0.904795777006E+02 0.37985E+00 -0.55223E-01 704 0.430E+00 0.170E+00
DAV: 9 -0.903924603564E+02 0.87117E-01 -0.13727E-01 712 0.167E+00 0.430E-01
DAV: 10 -0.903869450077E+02 0.55153E-02 -0.49980E-02 712 0.129E+00 0.330E-01
DAV: 11 -0.903904334249E+02 -0.34884E-02 -0.76552E-03 616 0.567E-01 0.130E-01
DAV: 12 -0.903936299461E+02 -0.31965E-02 -0.75036E-03 648 0.456E-01 0.138E-01
DAV: 13 -0.903960882559E+02 -0.24583E-02 -0.19838E-03 888 0.352E-01 0.816E-02
DAV: 14 -0.903992737804E+02 -0.31855E-02 -0.14306E-03 642 0.179E-01 0.692E-02
DAV: 15 -0.904011511382E+02 -0.18774E-02 -0.33160E-04 664 0.104E-01 0.540E-02
DAV: 16 -0.904026692187E+02 -0.15181E-02 -0.10687E-03 677 0.193E-01 0.398E-02
DAV: 17 -0.904033936984E+02 -0.72448E-03 -0.14349E-04 672 0.825E-02 0.296E-02
DAV: 18 -0.904037132566E+02 -0.31956E-03 -0.10811E-04 672 0.510E-02 0.102E-02
DAV: 19 -0.904038849414E+02 -0.17168E-03 -0.43281E-05 653 0.332E-02 0.769E-03
DAV: 20 -0.904039145427E+02 -0.29601E-04 -0.37499E-06 520 0.147E-02 0.631E-03
DAV: 21 -0.904039633242E+02 -0.48781E-04 -0.92215E-06 409 0.155E-02 0.427E-03
DAV: 22 -0.904039739718E+02 -0.10648E-04 -0.46826E-06 480 0.130E-02 0.265E-03
DAV: 23 -0.904039756395E+02 -0.16677E-05 -0.18572E-06 544 0.877E-03
1 F= -.90403976E+02 E0= -.90410528E+02 d E =0.196556E-01