iterations/neb0_image06_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 0.375761685116E+03 0.37576E+03 -0.14311E+04 632 0.799E+02
DAV: 2 0.421910854062E+01 -0.37154E+03 -0.35922E+03 869 0.195E+02
DAV: 3 -0.955250190493E+02 -0.99744E+02 -0.99418E+02 656 0.117E+02
DAV: 4 -0.100084980582E+03 -0.45600E+01 -0.45487E+01 704 0.290E+01
DAV: 5 -0.100178433804E+03 -0.93453E-01 -0.93417E-01 736 0.371E+00 0.226E+01
DAV: 6 -0.915631456328E+02 0.86153E+01 -0.30743E+01 677 0.305E+01 0.118E+01
DAV: 7 -0.907183885800E+02 0.84476E+00 -0.16929E+00 720 0.625E+00 0.481E+00
DAV: 8 -0.903335361640E+02 0.38485E+00 -0.53335E-01 696 0.406E+00 0.165E+00
DAV: 9 -0.902431540199E+02 0.90382E-01 -0.13095E-01 720 0.167E+00 0.431E-01
DAV: 10 -0.902335130367E+02 0.96410E-02 -0.38314E-02 728 0.100E+00 0.300E-01
DAV: 11 -0.902376440013E+02 -0.41310E-02 -0.11956E-02 680 0.705E-01 0.166E-01
DAV: 12 -0.902389317384E+02 -0.12877E-02 -0.28423E-03 656 0.331E-01 0.110E-01
DAV: 13 -0.902435236355E+02 -0.45919E-02 -0.31409E-03 635 0.313E-01 0.104E-01
DAV: 14 -0.902456667632E+02 -0.21431E-02 -0.76652E-04 712 0.172E-01 0.461E-02
DAV: 15 -0.902488394882E+02 -0.31727E-02 -0.83627E-04 690 0.162E-01 0.355E-02
DAV: 16 -0.902504764451E+02 -0.16370E-02 -0.17520E-04 760 0.892E-02 0.205E-02
DAV: 17 -0.902510758632E+02 -0.59942E-03 -0.85749E-05 712 0.520E-02 0.151E-02
DAV: 18 -0.902518181834E+02 -0.74232E-03 -0.10876E-04 628 0.549E-02 0.111E-02
DAV: 19 -0.902519406194E+02 -0.12244E-03 -0.11190E-05 504 0.222E-02 0.794E-03
DAV: 20 -0.902520582497E+02 -0.11763E-03 -0.46404E-05 604 0.394E-02 0.895E-03
DAV: 21 -0.902520668212E+02 -0.85715E-05 -0.43869E-06 536 0.176E-02
1 F= -.90252067E+02 E0= -.90260968E+02 d E =0.267028E-01