./iterations/neb0_image06_iter166_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 0.370949616292E+03 0.37095E+03 -0.14343E+04 640 0.799E+02
DAV: 2 0.352206809709E+01 -0.36743E+03 -0.35578E+03 877 0.193E+02
DAV: 3 -0.958920029868E+02 -0.99414E+02 -0.99080E+02 674 0.116E+02
DAV: 4 -0.100491008503E+03 -0.45990E+01 -0.45864E+01 704 0.284E+01
DAV: 5 -0.100582052415E+03 -0.91044E-01 -0.90992E-01 736 0.360E+00 0.226E+01
DAV: 6 -0.920060951706E+02 0.85760E+01 -0.30783E+01 717 0.303E+01 0.118E+01
DAV: 7 -0.911880140529E+02 0.81808E+00 -0.17223E+00 720 0.626E+00 0.480E+00
DAV: 8 -0.908144380127E+02 0.37358E+00 -0.53177E-01 728 0.404E+00 0.169E+00
DAV: 9 -0.907237382129E+02 0.90700E-01 -0.13091E-01 728 0.158E+00 0.423E-01
DAV: 10 -0.907137012090E+02 0.10037E-01 -0.35384E-02 752 0.940E-01 0.280E-01
DAV: 11 -0.907177132828E+02 -0.40121E-02 -0.88350E-03 610 0.481E-01 0.139E-01
DAV: 12 -0.907205087332E+02 -0.27955E-02 -0.17873E-03 637 0.244E-01 0.846E-02
DAV: 13 -0.907246002313E+02 -0.40915E-02 -0.17311E-03 633 0.196E-01 0.635E-02
DAV: 14 -0.907280042109E+02 -0.34040E-02 -0.13303E-03 749 0.269E-01 0.484E-02
DAV: 15 -0.907296210865E+02 -0.16169E-02 -0.35532E-04 693 0.106E-01 0.470E-02
DAV: 16 -0.907307302748E+02 -0.11092E-02 -0.40835E-04 738 0.127E-01 0.198E-02
DAV: 17 -0.907315983508E+02 -0.86808E-03 -0.15465E-04 658 0.631E-02 0.159E-02
DAV: 18 -0.907319005274E+02 -0.30218E-03 -0.27445E-05 616 0.222E-02 0.124E-02
DAV: 19 -0.907320371109E+02 -0.13658E-03 -0.28760E-05 551 0.317E-02 0.272E-03
DAV: 20 -0.907320659298E+02 -0.28819E-04 -0.68980E-06 512 0.148E-02 0.263E-03
DAV: 21 -0.907320860208E+02 -0.20091E-04 -0.30007E-06 395 0.730E-03 0.340E-03
DAV: 22 -0.907320891200E+02 -0.30993E-05 -0.51236E-07 512 0.527E-03
1 F= -.90732089E+02 E0= -.90736995E+02 d E =0.147169E-01