iterations/neb0_image06_iter231_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 0.372561176201E+03 0.37256E+03 -0.14312E+04 632 0.799E+02
DAV: 2 0.424469317057E+01 -0.36832E+03 -0.35594E+03 866 0.194E+02
DAV: 3 -0.953803443503E+02 -0.99625E+02 -0.99250E+02 664 0.116E+02
DAV: 4 -0.100129395129E+03 -0.47491E+01 -0.47331E+01 720 0.288E+01
DAV: 5 -0.100229325152E+03 -0.99930E-01 -0.99884E-01 728 0.371E+00 0.224E+01
DAV: 6 -0.917222150261E+02 0.85071E+01 -0.30226E+01 704 0.302E+01 0.117E+01
DAV: 7 -0.909072097294E+02 0.81501E+00 -0.17376E+00 712 0.630E+00 0.481E+00
DAV: 8 -0.905332170730E+02 0.37399E+00 -0.56893E-01 696 0.422E+00 0.166E+00
DAV: 9 -0.904454610914E+02 0.87756E-01 -0.12836E-01 720 0.161E+00 0.430E-01
DAV: 10 -0.904352243738E+02 0.10237E-01 -0.35890E-02 720 0.926E-01 0.287E-01
DAV: 11 -0.904392974609E+02 -0.40731E-02 -0.99632E-03 602 0.517E-01 0.155E-01
DAV: 12 -0.904415442927E+02 -0.22468E-02 -0.29098E-03 648 0.308E-01 0.832E-02
DAV: 13 -0.904454575508E+02 -0.39133E-02 -0.17118E-03 614 0.192E-01 0.695E-02
DAV: 14 -0.904487335449E+02 -0.32760E-02 -0.92746E-04 714 0.217E-01 0.346E-02
DAV: 15 -0.904506764445E+02 -0.19429E-02 -0.27606E-04 712 0.937E-02 0.347E-02
DAV: 16 -0.904522857025E+02 -0.16093E-02 -0.33596E-04 693 0.107E-01 0.170E-02
DAV: 17 -0.904530110172E+02 -0.72531E-03 -0.10109E-04 685 0.565E-02 0.129E-02
DAV: 18 -0.904532115277E+02 -0.20051E-03 -0.19283E-05 528 0.195E-02 0.728E-03
DAV: 19 -0.904533547985E+02 -0.14327E-03 -0.26797E-05 516 0.246E-02 0.293E-03
DAV: 20 -0.904533708953E+02 -0.16097E-04 -0.24339E-06 504 0.881E-03 0.219E-03
DAV: 21 -0.904533906346E+02 -0.19739E-04 -0.34438E-06 395 0.936E-03 0.937E-04
DAV: 22 -0.904533926448E+02 -0.20102E-05 -0.59396E-07 458 0.400E-03
1 F= -.90453393E+02 E0= -.90458033E+02 d E =0.139205E-01