iterations/neb0_image02_iter229_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 0.366348556534E+03 0.36635E+03 -0.14296E+04 624 0.799E+02
DAV: 2 0.128020451996E+01 -0.36507E+03 -0.35406E+03 869 0.195E+02
DAV: 3 -0.956263086810E+02 -0.96907E+02 -0.96571E+02 640 0.115E+02
DAV: 4 -0.100232918732E+03 -0.46066E+01 -0.45955E+01 704 0.293E+01
DAV: 5 -0.100324408648E+03 -0.91490E-01 -0.91451E-01 736 0.370E+00 0.222E+01
DAV: 6 -0.916732307050E+02 0.86512E+01 -0.30959E+01 680 0.299E+01 0.117E+01
DAV: 7 -0.908551335098E+02 0.81810E+00 -0.18234E+00 712 0.637E+00 0.484E+00
DAV: 8 -0.904742375797E+02 0.38090E+00 -0.55478E-01 696 0.431E+00 0.169E+00
DAV: 9 -0.903886786482E+02 0.85559E-01 -0.13576E-01 720 0.167E+00 0.428E-01
DAV: 10 -0.903837499237E+02 0.49287E-02 -0.48698E-02 704 0.125E+00 0.329E-01
DAV: 11 -0.903875306597E+02 -0.37807E-02 -0.80029E-03 624 0.603E-01 0.117E-01
DAV: 12 -0.903904258001E+02 -0.28951E-02 -0.62445E-03 640 0.396E-01 0.132E-01
DAV: 13 -0.903931038692E+02 -0.26781E-02 -0.18304E-03 856 0.330E-01 0.819E-02
DAV: 14 -0.903962689126E+02 -0.31650E-02 -0.12972E-03 629 0.166E-01 0.686E-02
DAV: 15 -0.903980788849E+02 -0.18100E-02 -0.32115E-04 704 0.107E-01 0.493E-02
DAV: 16 -0.903995482352E+02 -0.14694E-02 -0.97318E-04 669 0.180E-01 0.405E-02
DAV: 17 -0.904001513555E+02 -0.60312E-03 -0.15119E-04 808 0.864E-02 0.241E-02
DAV: 18 -0.904004256053E+02 -0.27425E-03 -0.67394E-05 672 0.401E-02 0.920E-03
DAV: 19 -0.904006244940E+02 -0.19889E-03 -0.38165E-05 585 0.305E-02 0.578E-03
DAV: 20 -0.904006575635E+02 -0.33070E-04 -0.37691E-06 504 0.131E-02 0.521E-03
DAV: 21 -0.904007143490E+02 -0.56785E-04 -0.11606E-05 406 0.176E-02 0.341E-03
DAV: 22 -0.904007201511E+02 -0.58020E-05 -0.36771E-06 496 0.115E-02
1 F= -.90400720E+02 E0= -.90407553E+02 d E =0.204987E-01