iterations/neb0_image04_iter93_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 0.370490726333E+03 0.37049E+03 -0.14314E+04 632 0.799E+02
DAV: 2 0.439927664171E+01 -0.36609E+03 -0.35331E+03 850 0.195E+02
DAV: 3 -0.955187196837E+02 -0.99918E+02 -0.99605E+02 693 0.116E+02
DAV: 4 -0.998226985159E+02 -0.43040E+01 -0.42937E+01 712 0.274E+01
DAV: 5 -0.999048136411E+02 -0.82115E-01 -0.82082E-01 720 0.342E+00 0.222E+01
DAV: 6 -0.914106762973E+02 0.84941E+01 -0.29990E+01 685 0.295E+01 0.116E+01
DAV: 7 -0.905617413092E+02 0.84893E+00 -0.17516E+00 712 0.628E+00 0.479E+00
DAV: 8 -0.901642321212E+02 0.39751E+00 -0.55762E-01 728 0.423E+00 0.165E+00
DAV: 9 -0.900690747028E+02 0.95157E-01 -0.13419E-01 712 0.176E+00 0.438E-01
DAV: 10 -0.900596135951E+02 0.94611E-02 -0.57299E-02 712 0.135E+00 0.350E-01
DAV: 11 -0.900638198428E+02 -0.42062E-02 -0.14579E-02 613 0.715E-01 0.143E-01
DAV: 12 -0.900655269211E+02 -0.17071E-02 -0.45919E-03 653 0.310E-01 0.139E-01
DAV: 13 -0.900692000600E+02 -0.36731E-02 -0.27711E-03 853 0.394E-01 0.764E-02
DAV: 14 -0.900727473501E+02 -0.35473E-02 -0.12607E-03 650 0.168E-01 0.664E-02
DAV: 15 -0.900750616971E+02 -0.23143E-02 -0.37325E-04 733 0.125E-01 0.350E-02
DAV: 16 -0.900767162470E+02 -0.16545E-02 -0.50276E-04 680 0.120E-01 0.304E-02
DAV: 17 -0.900777273205E+02 -0.10111E-02 -0.14921E-04 719 0.741E-02 0.169E-02
DAV: 18 -0.900780443927E+02 -0.31707E-03 -0.63073E-05 664 0.374E-02 0.903E-03
DAV: 19 -0.900781919953E+02 -0.14760E-03 -0.16331E-05 463 0.211E-02 0.398E-03
DAV: 20 -0.900782370922E+02 -0.45097E-04 -0.74290E-06 469 0.126E-02 0.347E-03
DAV: 21 -0.900782651033E+02 -0.28011E-04 -0.44092E-06 414 0.913E-03 0.182E-03
DAV: 22 -0.900782707009E+02 -0.55976E-05 -0.17057E-06 496 0.644E-03
1 F= -.90078271E+02 E0= -.90082349E+02 d E =0.122344E-01