./iterations/neb0_image01_iter188_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 0.365443298305E+03 0.36544E+03 -0.14297E+04 624 0.799E+02
DAV: 2 0.315371857607E+01 -0.36229E+03 -0.34931E+03 842 0.196E+02
DAV: 3 -0.955852921783E+02 -0.98739E+02 -0.98390E+02 669 0.116E+02
DAV: 4 -0.100211641966E+03 -0.46263E+01 -0.46155E+01 680 0.287E+01
DAV: 5 -0.100305018222E+03 -0.93376E-01 -0.93325E-01 728 0.363E+00 0.222E+01
DAV: 6 -0.916812795771E+02 0.86237E+01 -0.30996E+01 688 0.299E+01 0.116E+01
DAV: 7 -0.908823799360E+02 0.79890E+00 -0.18321E+00 712 0.639E+00 0.484E+00
DAV: 8 -0.905080577945E+02 0.37432E+00 -0.55039E-01 704 0.429E+00 0.167E+00
DAV: 9 -0.904258996420E+02 0.82158E-01 -0.13125E-01 720 0.168E+00 0.423E-01
DAV: 10 -0.904213909357E+02 0.45087E-02 -0.47249E-02 720 0.124E+00 0.325E-01
DAV: 11 -0.904256498920E+02 -0.42590E-02 -0.85492E-03 608 0.619E-01 0.115E-01
DAV: 12 -0.904288072848E+02 -0.31574E-02 -0.62022E-03 629 0.420E-01 0.130E-01
DAV: 13 -0.904313509218E+02 -0.25436E-02 -0.15885E-03 853 0.307E-01 0.772E-02
DAV: 14 -0.904346587691E+02 -0.33078E-02 -0.16100E-03 639 0.208E-01 0.752E-02
DAV: 15 -0.904360711446E+02 -0.14124E-02 -0.27415E-04 776 0.118E-01 0.563E-02
DAV: 16 -0.904374523020E+02 -0.13812E-02 -0.11795E-03 661 0.212E-01 0.404E-02
DAV: 17 -0.904382612669E+02 -0.80896E-03 -0.15985E-04 693 0.855E-02 0.341E-02
DAV: 18 -0.904385347109E+02 -0.27344E-03 -0.49598E-05 688 0.351E-02 0.239E-02
DAV: 19 -0.904387779176E+02 -0.24321E-03 -0.12960E-04 628 0.696E-02 0.902E-03
DAV: 20 -0.904388035992E+02 -0.25682E-04 -0.18439E-05 600 0.265E-02 0.932E-03
DAV: 21 -0.904388427467E+02 -0.39148E-04 -0.79831E-06 418 0.168E-02 0.810E-03
DAV: 22 -0.904388645129E+02 -0.21766E-04 -0.47682E-06 468 0.174E-02 0.473E-03
DAV: 23 -0.904388700731E+02 -0.55601E-05 -0.96171E-06 488 0.172E-02
1 F= -.90438870E+02 E0= -.90445185E+02 d E =0.189458E-01