iterations/neb0_image07_iter251_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 0.371832182426E+03 0.37183E+03 -0.14326E+04 632 0.799E+02
DAV: 2 0.386283609529E+01 -0.36797E+03 -0.35620E+03 866 0.194E+02
DAV: 3 -0.966592580244E+02 -0.10052E+03 -0.10019E+03 693 0.116E+02
DAV: 4 -0.101181632966E+03 -0.45224E+01 -0.45109E+01 696 0.281E+01
DAV: 5 -0.101270779561E+03 -0.89147E-01 -0.89095E-01 736 0.355E+00 0.227E+01
DAV: 6 -0.926124605086E+02 0.86583E+01 -0.30910E+01 717 0.300E+01 0.119E+01
DAV: 7 -0.917556560631E+02 0.85680E+00 -0.17199E+00 736 0.615E+00 0.480E+00
DAV: 8 -0.913807701376E+02 0.37489E+00 -0.53683E-01 736 0.394E+00 0.163E+00
DAV: 9 -0.912982854324E+02 0.82485E-01 -0.13076E-01 712 0.155E+00 0.421E-01
DAV: 10 -0.912892069374E+02 0.90785E-02 -0.42847E-02 757 0.106E+00 0.295E-01
DAV: 11 -0.912937535996E+02 -0.45467E-02 -0.13022E-02 608 0.590E-01 0.149E-01
DAV: 12 -0.912967806019E+02 -0.30270E-02 -0.28413E-03 626 0.267E-01 0.924E-02
DAV: 13 -0.913003522804E+02 -0.35717E-02 -0.13745E-03 636 0.179E-01 0.508E-02
DAV: 14 -0.913043124143E+02 -0.39601E-02 -0.12395E-03 714 0.255E-01 0.552E-02
DAV: 15 -0.913051815166E+02 -0.86910E-03 -0.39053E-04 704 0.124E-01 0.395E-02
DAV: 16 -0.913059630159E+02 -0.78150E-03 -0.20767E-04 712 0.843E-02 0.143E-02
DAV: 17 -0.913069366323E+02 -0.97362E-03 -0.15610E-04 722 0.660E-02 0.172E-02
DAV: 18 -0.913071902092E+02 -0.25358E-03 -0.28273E-05 608 0.369E-02 0.821E-03
DAV: 19 -0.913073080464E+02 -0.11784E-03 -0.31157E-05 600 0.284E-02 0.506E-03
DAV: 20 -0.913073392237E+02 -0.31177E-04 -0.24800E-06 504 0.122E-02 0.252E-03
DAV: 21 -0.913073637862E+02 -0.24562E-04 -0.35320E-06 415 0.927E-03 0.903E-04
DAV: 22 -0.913073736782E+02 -0.98920E-05 -0.10941E-06 456 0.419E-03
1 F= -.91307374E+02 E0= -.91312045E+02 d E =0.140151E-01