iterations/neb0_image02_iter247_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 0.366064188707E+03 0.36606E+03 -0.14296E+04 624 0.799E+02
DAV: 2 0.281039333359E+00 -0.36578E+03 -0.35519E+03 877 0.195E+02
DAV: 3 -0.956966491758E+02 -0.95978E+02 -0.95650E+02 629 0.115E+02
DAV: 4 -0.100237509969E+03 -0.45409E+01 -0.45304E+01 712 0.294E+01
DAV: 5 -0.100327647386E+03 -0.90137E-01 -0.90109E-01 744 0.371E+00 0.222E+01
DAV: 6 -0.916673330207E+02 0.86603E+01 -0.31070E+01 680 0.300E+01 0.117E+01
DAV: 7 -0.908533654117E+02 0.81397E+00 -0.18146E+00 712 0.635E+00 0.484E+00
DAV: 8 -0.904733523736E+02 0.38001E+00 -0.55298E-01 704 0.430E+00 0.170E+00
DAV: 9 -0.903880747065E+02 0.85278E-01 -0.13555E-01 720 0.166E+00 0.428E-01
DAV: 10 -0.903835040477E+02 0.45707E-02 -0.48852E-02 704 0.125E+00 0.329E-01
DAV: 11 -0.903872495882E+02 -0.37455E-02 -0.77313E-03 632 0.596E-01 0.118E-01
DAV: 12 -0.903903352596E+02 -0.30857E-02 -0.66368E-03 632 0.415E-01 0.135E-01
DAV: 13 -0.903929232919E+02 -0.25880E-02 -0.19259E-03 869 0.337E-01 0.816E-02
DAV: 14 -0.903960061241E+02 -0.30828E-02 -0.13324E-03 615 0.172E-01 0.706E-02
DAV: 15 -0.903977933560E+02 -0.17872E-02 -0.31063E-04 680 0.102E-01 0.539E-02
DAV: 16 -0.903992122621E+02 -0.14189E-02 -0.10462E-03 677 0.190E-01 0.393E-02
DAV: 17 -0.903998193389E+02 -0.60708E-03 -0.12857E-04 680 0.797E-02 0.284E-02
DAV: 18 -0.904001436027E+02 -0.32426E-03 -0.11009E-04 672 0.525E-02 0.816E-03
DAV: 19 -0.904003199011E+02 -0.17630E-03 -0.33907E-05 594 0.287E-02 0.733E-03
DAV: 20 -0.904003511018E+02 -0.31201E-04 -0.28407E-06 504 0.117E-02 0.598E-03
DAV: 21 -0.904004059743E+02 -0.54872E-04 -0.15340E-05 436 0.215E-02 0.366E-03
DAV: 22 -0.904004099156E+02 -0.39413E-05 -0.35445E-06 496 0.111E-02
1 F= -.90400410E+02 E0= -.90407217E+02 d E =0.204207E-01