iterations/neb0_image01_iter289_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 0.363340935475E+03 0.36334E+03 -0.14332E+04 632 0.799E+02
DAV: 2 0.311423943885E+01 -0.36023E+03 -0.34793E+03 828 0.195E+02
DAV: 3 -0.955795717157E+02 -0.98694E+02 -0.98354E+02 653 0.115E+02
DAV: 4 -0.100246290019E+03 -0.46667E+01 -0.46541E+01 704 0.291E+01
DAV: 5 -0.100335423333E+03 -0.89133E-01 -0.89092E-01 728 0.367E+00 0.222E+01
DAV: 6 -0.917066261234E+02 0.86288E+01 -0.30923E+01 685 0.299E+01 0.117E+01
DAV: 7 -0.908929235835E+02 0.81370E+00 -0.18512E+00 720 0.637E+00 0.484E+00
DAV: 8 -0.905133350355E+02 0.37959E+00 -0.55330E-01 704 0.429E+00 0.169E+00
DAV: 9 -0.904270913558E+02 0.86244E-01 -0.13650E-01 712 0.165E+00 0.428E-01
DAV: 10 -0.904217455383E+02 0.53458E-02 -0.46484E-02 693 0.126E+00 0.319E-01
DAV: 11 -0.904254486449E+02 -0.37031E-02 -0.67467E-03 608 0.497E-01 0.141E-01
DAV: 12 -0.904289819202E+02 -0.35333E-02 -0.75889E-03 620 0.497E-01 0.135E-01
DAV: 13 -0.904315912458E+02 -0.26093E-02 -0.18210E-03 904 0.337E-01 0.765E-02
DAV: 14 -0.904347098692E+02 -0.31186E-02 -0.13148E-03 639 0.170E-01 0.604E-02
DAV: 15 -0.904367279729E+02 -0.20181E-02 -0.35366E-04 680 0.108E-01 0.459E-02
DAV: 16 -0.904383489658E+02 -0.16210E-02 -0.92746E-04 658 0.178E-01 0.394E-02
DAV: 17 -0.904390429035E+02 -0.69394E-03 -0.15618E-04 776 0.907E-02 0.248E-02
DAV: 18 -0.904392673603E+02 -0.22446E-03 -0.83867E-05 669 0.449E-02 0.956E-03
DAV: 19 -0.904394458599E+02 -0.17850E-03 -0.36476E-05 551 0.299E-02 0.572E-03
DAV: 20 -0.904394771709E+02 -0.31311E-04 -0.39693E-06 488 0.133E-02 0.682E-03
DAV: 21 -0.904395229017E+02 -0.45731E-04 -0.83981E-06 412 0.167E-02 0.469E-03
DAV: 22 -0.904395312680E+02 -0.83663E-05 -0.49319E-06 480 0.146E-02
1 F= -.90439531E+02 E0= -.90445214E+02 d E =0.170479E-01