./iterations/neb0_image08_iter225_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 0.373762774408E+03 0.37376E+03 -0.14281E+04 624 0.799E+02
DAV: 2 0.265684572527E+01 -0.37111E+03 -0.35940E+03 877 0.196E+02
DAV: 3 -0.966647795478E+02 -0.99322E+02 -0.99018E+02 656 0.116E+02
DAV: 4 -0.101240802775E+03 -0.45760E+01 -0.45640E+01 720 0.289E+01
DAV: 5 -0.101331414974E+03 -0.90612E-01 -0.90562E-01 728 0.368E+00 0.227E+01
DAV: 6 -0.926544548955E+02 0.86770E+01 -0.30973E+01 714 0.300E+01 0.119E+01
DAV: 7 -0.917908613849E+02 0.86359E+00 -0.17224E+00 720 0.613E+00 0.480E+00
DAV: 8 -0.914162232932E+02 0.37464E+00 -0.54540E-01 720 0.395E+00 0.161E+00
DAV: 9 -0.913367025245E+02 0.79521E-01 -0.13061E-01 728 0.154E+00 0.418E-01
DAV: 10 -0.913287993702E+02 0.79032E-02 -0.44314E-02 752 0.107E+00 0.300E-01
DAV: 11 -0.913336534628E+02 -0.48541E-02 -0.13199E-02 608 0.597E-01 0.145E-01
DAV: 12 -0.913366140841E+02 -0.29606E-02 -0.27041E-03 636 0.224E-01 0.112E-01
DAV: 13 -0.913403332279E+02 -0.37191E-02 -0.24421E-03 639 0.258E-01 0.525E-02
DAV: 14 -0.913434841161E+02 -0.31509E-02 -0.74798E-04 653 0.159E-01 0.250E-02
DAV: 15 -0.913447684552E+02 -0.12843E-02 -0.14090E-04 680 0.650E-02 0.201E-02
DAV: 16 -0.913458513086E+02 -0.10829E-02 -0.16543E-04 636 0.731E-02 0.122E-02
DAV: 17 -0.913462547283E+02 -0.40342E-03 -0.33211E-05 600 0.326E-02 0.118E-02
DAV: 18 -0.913464613758E+02 -0.20665E-03 -0.37706E-05 629 0.340E-02 0.539E-03
DAV: 19 -0.913465427668E+02 -0.81391E-04 -0.81396E-06 456 0.150E-02 0.258E-03
DAV: 20 -0.913465669468E+02 -0.24180E-04 -0.41335E-06 485 0.857E-03 0.179E-03
DAV: 21 -0.913465766880E+02 -0.97412E-05 -0.12504E-06 426 0.495E-03
1 F= -.91346577E+02 E0= -.91351509E+02 d E =0.147960E-01