iterations/neb0_image03_iter121_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 0.366527036045E+03 0.36653E+03 -0.14318E+04 632 0.799E+02
DAV: 2 0.271259712872E+01 -0.36381E+03 -0.35262E+03 853 0.195E+02
DAV: 3 -0.956994613824E+02 -0.98412E+02 -0.98103E+02 669 0.116E+02
DAV: 4 -0.100172215500E+03 -0.44728E+01 -0.44632E+01 712 0.281E+01
DAV: 5 -0.100261784131E+03 -0.89569E-01 -0.89533E-01 736 0.354E+00 0.222E+01
DAV: 6 -0.916807376608E+02 0.85810E+01 -0.30669E+01 688 0.296E+01 0.116E+01
DAV: 7 -0.908399579272E+02 0.84078E+00 -0.18246E+00 712 0.640E+00 0.482E+00
DAV: 8 -0.904387837989E+02 0.40117E+00 -0.56280E-01 704 0.433E+00 0.167E+00
DAV: 9 -0.903436436538E+02 0.95140E-01 -0.12836E-01 704 0.188E+00 0.460E-01
DAV: 10 -0.903351756248E+02 0.84680E-02 -0.36013E-02 704 0.941E-01 0.334E-01
DAV: 11 -0.903377419834E+02 -0.25664E-02 -0.87475E-03 757 0.661E-01 0.174E-01
DAV: 12 -0.903393629641E+02 -0.16210E-02 -0.30761E-03 653 0.407E-01 0.115E-01
DAV: 13 -0.903439080401E+02 -0.45451E-02 -0.32627E-03 632 0.291E-01 0.867E-02
DAV: 14 -0.903481878477E+02 -0.42798E-02 -0.10239E-03 647 0.159E-01 0.420E-02
DAV: 15 -0.903503515929E+02 -0.21637E-02 -0.31698E-04 800 0.105E-01 0.238E-02
DAV: 16 -0.903520920230E+02 -0.17404E-02 -0.13963E-04 669 0.553E-02 0.140E-02
DAV: 17 -0.903532460385E+02 -0.11540E-02 -0.11862E-04 664 0.417E-02 0.702E-03
DAV: 18 -0.903535560239E+02 -0.30999E-03 -0.30210E-05 608 0.210E-02 0.449E-03
DAV: 19 -0.903536654617E+02 -0.10944E-03 -0.68520E-06 434 0.151E-02 0.230E-03
DAV: 20 -0.903537297650E+02 -0.64303E-04 -0.10318E-05 466 0.120E-02 0.248E-03
DAV: 21 -0.903537414137E+02 -0.11649E-04 -0.19632E-06 512 0.108E-02 0.165E-03
DAV: 22 -0.903537478066E+02 -0.63928E-05 -0.17361E-06 415 0.692E-03
1 F= -.90353748E+02 E0= -.90362453E+02 d E =0.261158E-01