iterations/neb0_image02_iter157_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 0.364074170461E+03 0.36407E+03 -0.14331E+04 632 0.799E+02
DAV: 2 0.188769269156E+01 -0.36219E+03 -0.35000E+03 853 0.195E+02
DAV: 3 -0.956168948110E+02 -0.97505E+02 -0.97167E+02 648 0.116E+02
DAV: 4 -0.100223880270E+03 -0.46070E+01 -0.45964E+01 720 0.291E+01
DAV: 5 -0.100315158259E+03 -0.91278E-01 -0.91247E-01 752 0.367E+00 0.222E+01
DAV: 6 -0.916798546811E+02 0.86353E+01 -0.30882E+01 688 0.299E+01 0.117E+01
DAV: 7 -0.908602548098E+02 0.81960E+00 -0.18450E+00 704 0.637E+00 0.484E+00
DAV: 8 -0.904795169545E+02 0.38074E+00 -0.55855E-01 696 0.432E+00 0.169E+00
DAV: 9 -0.903930449582E+02 0.86472E-01 -0.13744E-01 712 0.167E+00 0.432E-01
DAV: 10 -0.903874370755E+02 0.56079E-02 -0.49057E-02 704 0.130E+00 0.329E-01
DAV: 11 -0.903907121654E+02 -0.32751E-02 -0.69696E-03 616 0.532E-01 0.142E-01
DAV: 12 -0.903940167857E+02 -0.33046E-02 -0.79485E-03 640 0.476E-01 0.138E-01
DAV: 13 -0.903967044017E+02 -0.26876E-02 -0.20846E-03 888 0.366E-01 0.832E-02
DAV: 14 -0.903997110385E+02 -0.30066E-02 -0.13279E-03 642 0.168E-01 0.667E-02
DAV: 15 -0.904018069383E+02 -0.20959E-02 -0.39963E-04 669 0.111E-01 0.491E-02
DAV: 16 -0.904032894796E+02 -0.14825E-02 -0.86224E-04 672 0.168E-01 0.364E-02
DAV: 17 -0.904040785591E+02 -0.78908E-03 -0.15202E-04 744 0.831E-02 0.227E-02
DAV: 18 -0.904043458166E+02 -0.26726E-03 -0.82878E-05 672 0.434E-02 0.790E-03
DAV: 19 -0.904044893807E+02 -0.14356E-03 -0.27046E-05 549 0.258E-02 0.593E-03
DAV: 20 -0.904045131339E+02 -0.23753E-04 -0.28569E-06 512 0.116E-02 0.466E-03
DAV: 21 -0.904045612694E+02 -0.48136E-04 -0.91198E-06 417 0.151E-02 0.331E-03
DAV: 22 -0.904045669976E+02 -0.57281E-05 -0.22616E-06 496 0.970E-03
1 F= -.90404567E+02 E0= -.90411258E+02 d E =0.200740E-01