./iterations/neb0_image09_iter182_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 0.374145799761E+03 0.37415E+03 -0.14281E+04 624 0.799E+02
DAV: 2 0.323390824420E+01 -0.37091E+03 -0.35817E+03 869 0.196E+02
DAV: 3 -0.966343708622E+02 -0.99868E+02 -0.99535E+02 653 0.117E+02
DAV: 4 -0.101252400383E+03 -0.46180E+01 -0.46073E+01 720 0.291E+01
DAV: 5 -0.101343571750E+03 -0.91171E-01 -0.91131E-01 728 0.370E+00 0.227E+01
DAV: 6 -0.926787037467E+02 0.86649E+01 -0.30922E+01 717 0.301E+01 0.119E+01
DAV: 7 -0.918095949012E+02 0.86911E+00 -0.17176E+00 728 0.613E+00 0.479E+00
DAV: 8 -0.914339572230E+02 0.37564E+00 -0.54459E-01 712 0.395E+00 0.163E+00
DAV: 9 -0.913527496538E+02 0.81208E-01 -0.13110E-01 712 0.155E+00 0.423E-01
DAV: 10 -0.913444765374E+02 0.82731E-02 -0.44095E-02 776 0.110E+00 0.299E-01
DAV: 11 -0.913487755511E+02 -0.42990E-02 -0.11585E-02 616 0.561E-01 0.130E-01
DAV: 12 -0.913520068414E+02 -0.32313E-02 -0.28634E-03 623 0.247E-01 0.109E-01
DAV: 13 -0.913555661931E+02 -0.35594E-02 -0.12290E-03 685 0.193E-01 0.443E-02
DAV: 14 -0.913588117042E+02 -0.32455E-02 -0.69734E-04 664 0.146E-01 0.368E-02
DAV: 15 -0.913601602319E+02 -0.13485E-02 -0.14109E-04 744 0.805E-02 0.337E-02
DAV: 16 -0.913616172818E+02 -0.14570E-02 -0.33512E-04 645 0.911E-02 0.173E-02
DAV: 17 -0.913620345516E+02 -0.41727E-03 -0.74790E-05 744 0.610E-02 0.125E-02
DAV: 18 -0.913622546355E+02 -0.22008E-03 -0.32512E-05 568 0.251E-02 0.898E-03
DAV: 19 -0.913623254090E+02 -0.70773E-04 -0.10097E-05 496 0.168E-02 0.370E-03
DAV: 20 -0.913623561002E+02 -0.30691E-04 -0.64888E-06 432 0.156E-02 0.172E-03
DAV: 21 -0.913623720246E+02 -0.15924E-04 -0.23878E-06 445 0.709E-03 0.205E-03
DAV: 22 -0.913623766138E+02 -0.45893E-05 -0.69569E-07 472 0.479E-03
1 F= -.91362377E+02 E0= -.91367198E+02 d E =0.144630E-01