iterations/neb0_image03_iter247_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 0.363321695996E+03 0.36332E+03 -0.14325E+04 632 0.799E+02
DAV: 2 0.966187772170E+00 -0.36236E+03 -0.35208E+03 842 0.195E+02
DAV: 3 -0.961053995373E+02 -0.97072E+02 -0.96762E+02 680 0.115E+02
DAV: 4 -0.100312600125E+03 -0.42072E+01 -0.41970E+01 704 0.273E+01
DAV: 5 -0.100394665515E+03 -0.82065E-01 -0.82038E-01 744 0.341E+00 0.223E+01
DAV: 6 -0.917187464730E+02 0.86759E+01 -0.31373E+01 677 0.299E+01 0.117E+01
DAV: 7 -0.908809418617E+02 0.83780E+00 -0.17986E+00 712 0.633E+00 0.484E+00
DAV: 8 -0.904886946950E+02 0.39225E+00 -0.55595E-01 704 0.427E+00 0.169E+00
DAV: 9 -0.903967342080E+02 0.91960E-01 -0.13305E-01 712 0.168E+00 0.436E-01
DAV: 10 -0.903901959861E+02 0.65382E-02 -0.50238E-02 712 0.124E+00 0.340E-01
DAV: 11 -0.903948886458E+02 -0.46927E-02 -0.10196E-02 688 0.679E-01 0.120E-01
DAV: 12 -0.903978094029E+02 -0.29208E-02 -0.50934E-03 624 0.324E-01 0.125E-01
DAV: 13 -0.904017766464E+02 -0.39672E-02 -0.19249E-03 882 0.322E-01 0.861E-02
DAV: 14 -0.904048995903E+02 -0.31229E-02 -0.11269E-03 653 0.153E-01 0.595E-02
DAV: 15 -0.904069669339E+02 -0.20673E-02 -0.33928E-04 680 0.949E-02 0.326E-02
DAV: 16 -0.904084867557E+02 -0.15198E-02 -0.41000E-04 661 0.105E-01 0.255E-02
DAV: 17 -0.904092605900E+02 -0.77383E-03 -0.14049E-04 674 0.718E-02 0.107E-02
DAV: 18 -0.904095274589E+02 -0.26687E-03 -0.62810E-05 664 0.369E-02 0.987E-03
DAV: 19 -0.904095675179E+02 -0.40059E-04 -0.40679E-06 520 0.154E-02 0.483E-03
DAV: 20 -0.904096482985E+02 -0.80781E-04 -0.29946E-05 546 0.299E-02 0.792E-03
DAV: 21 -0.904096613067E+02 -0.13008E-04 -0.31432E-06 496 0.144E-02 0.474E-03
DAV: 22 -0.904096656913E+02 -0.43845E-05 -0.51326E-06 496 0.125E-02
1 F= -.90409666E+02 E0= -.90416842E+02 d E =0.215294E-01