./iterations/neb0_image01_iter116_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 0.366206452725E+03 0.36621E+03 -0.14297E+04 624 0.799E+02
DAV: 2 0.335486470053E+01 -0.36285E+03 -0.34958E+03 839 0.195E+02
DAV: 3 -0.956754639109E+02 -0.99030E+02 -0.98685E+02 677 0.116E+02
DAV: 4 -0.100189244441E+03 -0.45138E+01 -0.45041E+01 693 0.283E+01
DAV: 5 -0.100279614876E+03 -0.90370E-01 -0.90318E-01 744 0.355E+00 0.222E+01
DAV: 6 -0.916810230518E+02 0.85986E+01 -0.31048E+01 685 0.298E+01 0.117E+01
DAV: 7 -0.908719355736E+02 0.80909E+00 -0.18175E+00 720 0.637E+00 0.484E+00
DAV: 8 -0.904929630187E+02 0.37897E+00 -0.56003E-01 712 0.430E+00 0.167E+00
DAV: 9 -0.904094515489E+02 0.83511E-01 -0.13481E-01 704 0.164E+00 0.427E-01
DAV: 10 -0.904042930259E+02 0.51585E-02 -0.45060E-02 728 0.124E+00 0.314E-01
DAV: 11 -0.904081694106E+02 -0.38764E-02 -0.65365E-03 608 0.477E-01 0.140E-01
DAV: 12 -0.904117320876E+02 -0.35627E-02 -0.68483E-03 626 0.484E-01 0.127E-01
DAV: 13 -0.904143985387E+02 -0.26665E-02 -0.14126E-03 848 0.304E-01 0.749E-02
DAV: 14 -0.904173569203E+02 -0.29584E-02 -0.13715E-03 642 0.176E-01 0.573E-02
DAV: 15 -0.904193662024E+02 -0.20093E-02 -0.36261E-04 672 0.116E-01 0.446E-02
DAV: 16 -0.904207420067E+02 -0.13758E-02 -0.74911E-04 653 0.161E-01 0.352E-02
DAV: 17 -0.904215253522E+02 -0.78335E-03 -0.16784E-04 829 0.934E-02 0.212E-02
DAV: 18 -0.904216903935E+02 -0.16504E-03 -0.43269E-05 704 0.332E-02 0.132E-02
DAV: 19 -0.904219248200E+02 -0.23443E-03 -0.63014E-05 630 0.407E-02 0.640E-03
DAV: 20 -0.904219399116E+02 -0.15092E-04 -0.48681E-06 504 0.139E-02 0.653E-03
DAV: 21 -0.904219762478E+02 -0.36336E-04 -0.61569E-06 411 0.152E-02 0.443E-03
DAV: 22 -0.904219936711E+02 -0.17423E-04 -0.36990E-06 477 0.116E-02 0.268E-03
DAV: 23 -0.904219960657E+02 -0.23946E-05 -0.28850E-06 528 0.965E-03
1 F= -.90421996E+02 E0= -.90427083E+02 d E =0.152606E-01