iterations/neb0_image01_iter54_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 0.366679469736E+03 0.36668E+03 -0.14298E+04 624 0.799E+02
DAV: 2 0.344802059484E+01 -0.36323E+03 -0.34979E+03 839 0.195E+02
DAV: 3 -0.956231644984E+02 -0.99071E+02 -0.98729E+02 672 0.116E+02
DAV: 4 -0.100197567077E+03 -0.45744E+01 -0.45648E+01 685 0.287E+01
DAV: 5 -0.100289098807E+03 -0.91532E-01 -0.91479E-01 744 0.362E+00 0.222E+01
DAV: 6 -0.916761213401E+02 0.86130E+01 -0.31106E+01 704 0.299E+01 0.117E+01
DAV: 7 -0.908618545791E+02 0.81427E+00 -0.18295E+00 720 0.636E+00 0.484E+00
DAV: 8 -0.904803721167E+02 0.38148E+00 -0.55880E-01 704 0.428E+00 0.168E+00
DAV: 9 -0.903948111419E+02 0.85561E-01 -0.13751E-01 696 0.165E+00 0.430E-01
DAV: 10 -0.903890903246E+02 0.57208E-02 -0.45209E-02 728 0.126E+00 0.316E-01
DAV: 11 -0.903928905827E+02 -0.38003E-02 -0.67881E-03 608 0.474E-01 0.147E-01
DAV: 12 -0.903963133031E+02 -0.34227E-02 -0.66480E-03 632 0.476E-01 0.123E-01
DAV: 13 -0.903991693290E+02 -0.28560E-02 -0.11436E-03 784 0.289E-01 0.784E-02
DAV: 14 -0.904021177007E+02 -0.29484E-02 -0.16829E-03 631 0.198E-01 0.611E-02
DAV: 15 -0.904043519367E+02 -0.22342E-02 -0.48455E-04 744 0.151E-01 0.424E-02
DAV: 16 -0.904054144976E+02 -0.10626E-02 -0.54671E-04 669 0.130E-01 0.344E-02
DAV: 17 -0.904063603833E+02 -0.94589E-03 -0.18146E-04 732 0.886E-02 0.214E-02
DAV: 18 -0.904065467454E+02 -0.18636E-03 -0.50261E-05 704 0.359E-02 0.144E-02
DAV: 19 -0.904068019336E+02 -0.25519E-03 -0.51318E-05 633 0.373E-02 0.417E-03
DAV: 20 -0.904068628840E+02 -0.60950E-04 -0.47210E-06 480 0.123E-02 0.398E-03
DAV: 21 -0.904069068374E+02 -0.43953E-04 -0.51037E-06 425 0.105E-02 0.208E-03
DAV: 22 -0.904069256102E+02 -0.18773E-04 -0.36650E-06 477 0.789E-03 0.149E-03
DAV: 23 -0.904069278092E+02 -0.21990E-05 -0.54608E-07 520 0.391E-03
1 F= -.90406928E+02 E0= -.90412232E+02 d E =0.159112E-01