iterations/neb0_image04_iter70_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 0.370481108425E+03 0.37048E+03 -0.14311E+04 632 0.799E+02
DAV: 2 0.461071609901E+01 -0.36587E+03 -0.35321E+03 853 0.195E+02
DAV: 3 -0.953303763903E+02 -0.99941E+02 -0.99626E+02 682 0.116E+02
DAV: 4 -0.997164947039E+02 -0.43861E+01 -0.43745E+01 712 0.279E+01
DAV: 5 -0.998008663323E+02 -0.84372E-01 -0.84330E-01 728 0.350E+00 0.221E+01
DAV: 6 -0.913399675478E+02 0.84609E+01 -0.29977E+01 671 0.295E+01 0.115E+01
DAV: 7 -0.904903174699E+02 0.84965E+00 -0.17228E+00 712 0.629E+00 0.480E+00
DAV: 8 -0.900888427119E+02 0.40147E+00 -0.56948E-01 712 0.432E+00 0.163E+00
DAV: 9 -0.899953268504E+02 0.93516E-01 -0.13291E-01 720 0.174E+00 0.439E-01
DAV: 10 -0.899854909727E+02 0.98359E-02 -0.57253E-02 712 0.136E+00 0.350E-01
DAV: 11 -0.899894035841E+02 -0.39126E-02 -0.13309E-02 637 0.651E-01 0.138E-01
DAV: 12 -0.899915274418E+02 -0.21239E-02 -0.41835E-03 639 0.289E-01 0.131E-01
DAV: 13 -0.899953224736E+02 -0.37950E-02 -0.20949E-03 837 0.359E-01 0.702E-02
DAV: 14 -0.899986573597E+02 -0.33349E-02 -0.11089E-03 650 0.160E-01 0.576E-02
DAV: 15 -0.900011865336E+02 -0.25292E-02 -0.37335E-04 733 0.112E-01 0.343E-02
DAV: 16 -0.900026572682E+02 -0.14707E-02 -0.44804E-04 685 0.111E-01 0.301E-02
DAV: 17 -0.900035528958E+02 -0.89563E-03 -0.16248E-04 807 0.811E-02 0.133E-02
DAV: 18 -0.900038290155E+02 -0.27612E-03 -0.41362E-05 597 0.309E-02 0.708E-03
DAV: 19 -0.900039672892E+02 -0.13827E-03 -0.21407E-05 508 0.203E-02 0.528E-03
DAV: 20 -0.900040162565E+02 -0.48967E-04 -0.46031E-06 453 0.984E-03 0.277E-03
DAV: 21 -0.900040313329E+02 -0.15076E-04 -0.41597E-06 466 0.965E-03 0.161E-03
DAV: 22 -0.900040344508E+02 -0.31180E-05 -0.74307E-07 472 0.439E-03
1 F= -.90004034E+02 E0= -.90008510E+02 d E =0.134262E-01