iterations/neb0_image09_iter214_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 0.374014491349E+03 0.37401E+03 -0.14281E+04 624 0.799E+02
DAV: 2 0.326713211222E+01 -0.37075E+03 -0.35811E+03 869 0.196E+02
DAV: 3 -0.967346478396E+02 -0.10000E+03 -0.99672E+02 661 0.117E+02
DAV: 4 -0.101267727430E+03 -0.45331E+01 -0.45224E+01 720 0.287E+01
DAV: 5 -0.101356445042E+03 -0.88718E-01 -0.88676E-01 720 0.365E+00 0.227E+01
DAV: 6 -0.926796942631E+02 0.86768E+01 -0.30996E+01 725 0.301E+01 0.119E+01
DAV: 7 -0.918103111144E+02 0.86938E+00 -0.17235E+00 720 0.613E+00 0.479E+00
DAV: 8 -0.914344052012E+02 0.37591E+00 -0.54445E-01 712 0.395E+00 0.163E+00
DAV: 9 -0.913533404143E+02 0.81065E-01 -0.13141E-01 712 0.155E+00 0.423E-01
DAV: 10 -0.913451233413E+02 0.82171E-02 -0.44244E-02 760 0.110E+00 0.299E-01
DAV: 11 -0.913495075610E+02 -0.43842E-02 -0.11796E-02 608 0.565E-01 0.132E-01
DAV: 12 -0.913527798181E+02 -0.32723E-02 -0.29530E-03 623 0.244E-01 0.114E-01
DAV: 13 -0.913562590228E+02 -0.34792E-02 -0.14019E-03 719 0.210E-01 0.408E-02
DAV: 14 -0.913592818650E+02 -0.30228E-02 -0.54770E-04 664 0.122E-01 0.372E-02
DAV: 15 -0.913609947588E+02 -0.17129E-02 -0.14773E-04 672 0.738E-02 0.323E-02
DAV: 16 -0.913623358912E+02 -0.13411E-02 -0.33703E-04 664 0.889E-02 0.202E-02
DAV: 17 -0.913626861182E+02 -0.35023E-03 -0.80359E-05 736 0.630E-02 0.116E-02
DAV: 18 -0.913629138049E+02 -0.22769E-03 -0.37917E-05 637 0.257E-02 0.108E-02
DAV: 19 -0.913629674225E+02 -0.53618E-04 -0.84174E-06 496 0.189E-02 0.476E-03
DAV: 20 -0.913630036414E+02 -0.36219E-04 -0.16074E-05 437 0.247E-02 0.493E-03
DAV: 21 -0.913630136139E+02 -0.99726E-05 -0.30092E-06 480 0.106E-02
1 F= -.91363014E+02 E0= -.91367752E+02 d E =0.142155E-01