./iterations/neb0_image01_iter114_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 0.366315853760E+03 0.36632E+03 -0.14298E+04 624 0.799E+02
DAV: 2 0.336759437599E+01 -0.36295E+03 -0.34966E+03 839 0.195E+02
DAV: 3 -0.956860462950E+02 -0.99054E+02 -0.98708E+02 677 0.116E+02
DAV: 4 -0.100197725953E+03 -0.45117E+01 -0.45020E+01 693 0.282E+01
DAV: 5 -0.100287957330E+03 -0.90231E-01 -0.90179E-01 744 0.355E+00 0.222E+01
DAV: 6 -0.916810035699E+02 0.86070E+01 -0.31089E+01 685 0.299E+01 0.117E+01
DAV: 7 -0.908724932902E+02 0.80851E+00 -0.18191E+00 720 0.636E+00 0.484E+00
DAV: 8 -0.904934613846E+02 0.37903E+00 -0.55743E-01 712 0.428E+00 0.167E+00
DAV: 9 -0.904094737782E+02 0.83988E-01 -0.13503E-01 704 0.164E+00 0.427E-01
DAV: 10 -0.904042952865E+02 0.51785E-02 -0.45471E-02 728 0.124E+00 0.315E-01
DAV: 11 -0.904081986019E+02 -0.39033E-02 -0.66935E-03 608 0.484E-01 0.138E-01
DAV: 12 -0.904117541283E+02 -0.35555E-02 -0.68139E-03 626 0.478E-01 0.127E-01
DAV: 13 -0.904143919150E+02 -0.26378E-02 -0.14232E-03 848 0.306E-01 0.751E-02
DAV: 14 -0.904173798635E+02 -0.29879E-02 -0.13992E-03 642 0.178E-01 0.587E-02
DAV: 15 -0.904193639861E+02 -0.19841E-02 -0.36222E-04 688 0.117E-01 0.455E-02
DAV: 16 -0.904207393767E+02 -0.13754E-02 -0.79868E-04 653 0.166E-01 0.365E-02
DAV: 17 -0.904215348458E+02 -0.79547E-03 -0.17548E-04 829 0.951E-02 0.221E-02
DAV: 18 -0.904216840821E+02 -0.14924E-03 -0.43375E-05 704 0.333E-02 0.140E-02
DAV: 19 -0.904219305951E+02 -0.24651E-03 -0.64325E-05 633 0.412E-02 0.606E-03
DAV: 20 -0.904219505182E+02 -0.19923E-04 -0.54575E-06 496 0.152E-02 0.617E-03
DAV: 21 -0.904219861068E+02 -0.35589E-04 -0.67847E-06 417 0.161E-02 0.493E-03
DAV: 22 -0.904220063207E+02 -0.20214E-04 -0.35088E-06 477 0.109E-02 0.340E-03
DAV: 23 -0.904220089384E+02 -0.26177E-05 -0.36865E-06 520 0.109E-02
1 F= -.90422009E+02 E0= -.90427035E+02 d E =0.150778E-01