iterations/neb0_image01_iter245_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 0.365207567566E+03 0.36521E+03 -0.14296E+04 624 0.799E+02
DAV: 2 0.323519160578E+01 -0.36197E+03 -0.34883E+03 839 0.196E+02
DAV: 3 -0.954559489071E+02 -0.98691E+02 -0.98346E+02 645 0.116E+02
DAV: 4 -0.100207590567E+03 -0.47516E+01 -0.47394E+01 696 0.297E+01
DAV: 5 -0.100301667289E+03 -0.94077E-01 -0.94030E-01 736 0.377E+00 0.222E+01
DAV: 6 -0.916897561124E+02 0.86119E+01 -0.31037E+01 688 0.300E+01 0.117E+01
DAV: 7 -0.908915214459E+02 0.79823E+00 -0.18281E+00 712 0.638E+00 0.484E+00
DAV: 8 -0.905153732218E+02 0.37615E+00 -0.55124E-01 704 0.429E+00 0.168E+00
DAV: 9 -0.904315641185E+02 0.83809E-01 -0.13434E-01 720 0.165E+00 0.423E-01
DAV: 10 -0.904268380137E+02 0.47261E-02 -0.46438E-02 728 0.124E+00 0.318E-01
DAV: 11 -0.904307355759E+02 -0.38976E-02 -0.68863E-03 608 0.517E-01 0.131E-01
DAV: 12 -0.904343349260E+02 -0.35994E-02 -0.71432E-03 637 0.488E-01 0.135E-01
DAV: 13 -0.904367555562E+02 -0.24206E-02 -0.17353E-03 861 0.319E-01 0.743E-02
DAV: 14 -0.904398274986E+02 -0.30719E-02 -0.13603E-03 642 0.180E-01 0.631E-02
DAV: 15 -0.904416521535E+02 -0.18247E-02 -0.34666E-04 680 0.110E-01 0.515E-02
DAV: 16 -0.904430804125E+02 -0.14283E-02 -0.93878E-04 666 0.187E-01 0.353E-02
DAV: 17 -0.904438357565E+02 -0.75534E-03 -0.12649E-04 672 0.748E-02 0.313E-02
DAV: 18 -0.904441349555E+02 -0.29920E-03 -0.10916E-04 672 0.557E-02 0.121E-02
DAV: 19 -0.904442891600E+02 -0.15420E-03 -0.48118E-05 653 0.356E-02 0.835E-03
DAV: 20 -0.904443223775E+02 -0.33218E-04 -0.36575E-06 512 0.152E-02 0.918E-03
DAV: 21 -0.904443602987E+02 -0.37921E-04 -0.79906E-06 409 0.191E-02 0.517E-03
DAV: 22 -0.904443667877E+02 -0.64889E-05 -0.72589E-06 496 0.151E-02
1 F= -.90444367E+02 E0= -.90449758E+02 d E =0.161751E-01