iterations/neb0_image09_iter167_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 0.374151529072E+03 0.37415E+03 -0.14282E+04 624 0.799E+02
DAV: 2 0.325348238406E+01 -0.37090E+03 -0.35813E+03 869 0.196E+02
DAV: 3 -0.968193756969E+02 -0.10007E+03 -0.99745E+02 669 0.117E+02
DAV: 4 -0.101275489227E+03 -0.44561E+01 -0.44457E+01 720 0.283E+01
DAV: 5 -0.101361967156E+03 -0.86478E-01 -0.86438E-01 720 0.359E+00 0.227E+01
DAV: 6 -0.926816245388E+02 0.86803E+01 -0.30994E+01 717 0.301E+01 0.119E+01
DAV: 7 -0.918072428567E+02 0.87438E+00 -0.17202E+00 728 0.614E+00 0.479E+00
DAV: 8 -0.914304087677E+02 0.37683E+00 -0.54116E-01 712 0.394E+00 0.163E+00
DAV: 9 -0.913488084254E+02 0.81600E-01 -0.13257E-01 712 0.156E+00 0.425E-01
DAV: 10 -0.913406166391E+02 0.81918E-02 -0.45195E-02 784 0.112E+00 0.302E-01
DAV: 11 -0.913450362885E+02 -0.44196E-02 -0.12636E-02 616 0.590E-01 0.137E-01
DAV: 12 -0.913480643619E+02 -0.30281E-02 -0.28144E-03 634 0.239E-01 0.112E-01
DAV: 13 -0.913517761268E+02 -0.37118E-02 -0.16804E-03 688 0.220E-01 0.433E-02
DAV: 14 -0.913551004874E+02 -0.33244E-02 -0.59993E-04 664 0.143E-01 0.308E-02
DAV: 15 -0.913564682249E+02 -0.13677E-02 -0.14288E-04 680 0.724E-02 0.318E-02
DAV: 16 -0.913577892454E+02 -0.13210E-02 -0.33021E-04 642 0.979E-02 0.197E-02
DAV: 17 -0.913580823596E+02 -0.29311E-03 -0.47751E-05 688 0.516E-02 0.134E-02
DAV: 18 -0.913582886361E+02 -0.20628E-03 -0.44667E-05 632 0.342E-02 0.105E-02
DAV: 19 -0.913584197333E+02 -0.13110E-03 -0.12527E-05 469 0.194E-02 0.463E-03
DAV: 20 -0.913584602610E+02 -0.40528E-04 -0.10038E-05 456 0.177E-02 0.222E-03
DAV: 21 -0.913584816659E+02 -0.21405E-04 -0.36366E-06 429 0.897E-03 0.213E-03
DAV: 22 -0.913584866864E+02 -0.50204E-05 -0.91975E-07 474 0.438E-03
1 F= -.91358487E+02 E0= -.91363402E+02 d E =0.147453E-01