./iterations/neb0_image04_iter65_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 0.370731702959E+03 0.37073E+03 -0.14314E+04 632 0.799E+02
DAV: 2 0.422825844246E+01 -0.36650E+03 -0.35387E+03 861 0.195E+02
DAV: 3 -0.952273856061E+02 -0.99456E+02 -0.99131E+02 674 0.116E+02
DAV: 4 -0.997129961434E+02 -0.44856E+01 -0.44755E+01 704 0.281E+01
DAV: 5 -0.998011040504E+02 -0.88108E-01 -0.88062E-01 720 0.354E+00 0.221E+01
DAV: 6 -0.913129731637E+02 0.84881E+01 -0.29984E+01 682 0.295E+01 0.116E+01
DAV: 7 -0.904674218240E+02 0.84555E+00 -0.17572E+00 704 0.628E+00 0.479E+00
DAV: 8 -0.900694312645E+02 0.39799E+00 -0.55538E-01 704 0.426E+00 0.165E+00
DAV: 9 -0.899741311743E+02 0.95300E-01 -0.13654E-01 720 0.183E+00 0.444E-01
DAV: 10 -0.899638685454E+02 0.10263E-01 -0.56120E-02 712 0.138E+00 0.348E-01
DAV: 11 -0.899677390519E+02 -0.38705E-02 -0.14546E-02 629 0.687E-01 0.148E-01
DAV: 12 -0.899692265671E+02 -0.14875E-02 -0.41067E-03 650 0.301E-01 0.132E-01
DAV: 13 -0.899732379011E+02 -0.40113E-02 -0.31026E-03 853 0.424E-01 0.760E-02
DAV: 14 -0.899765811376E+02 -0.33432E-02 -0.11945E-03 653 0.172E-01 0.639E-02
DAV: 15 -0.899785535917E+02 -0.19725E-02 -0.38966E-04 829 0.131E-01 0.291E-02
DAV: 16 -0.899803475410E+02 -0.17939E-02 -0.37192E-04 661 0.100E-01 0.262E-02
DAV: 17 -0.899813444981E+02 -0.99696E-03 -0.84610E-05 610 0.407E-02 0.228E-02
DAV: 18 -0.899817597873E+02 -0.41529E-03 -0.12494E-04 656 0.654E-02 0.956E-03
DAV: 19 -0.899818401645E+02 -0.80377E-04 -0.95182E-06 504 0.215E-02 0.663E-03
DAV: 20 -0.899819220980E+02 -0.81933E-04 -0.15879E-05 431 0.217E-02 0.355E-03
DAV: 21 -0.899819550444E+02 -0.32946E-04 -0.42072E-06 453 0.935E-03 0.303E-03
DAV: 22 -0.899819682758E+02 -0.13231E-04 -0.25226E-06 456 0.869E-03 0.132E-03
DAV: 23 -0.899819727591E+02 -0.44832E-05 -0.12809E-06 466 0.578E-03
1 F= -.89981973E+02 E0= -.89986822E+02 d E =0.145486E-01