iterations/neb0_image05_iter287_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 0.368548100612E+03 0.36855E+03 -0.14317E+04 624 0.799E+02
DAV: 2 0.473232494295E+01 -0.36382E+03 -0.35016E+03 840 0.196E+02
DAV: 3 -0.952362405185E+02 -0.99969E+02 -0.99621E+02 640 0.117E+02
DAV: 4 -0.100185834087E+03 -0.49496E+01 -0.49369E+01 704 0.304E+01
DAV: 5 -0.100285929930E+03 -0.10010E+00 -0.10005E+00 736 0.387E+00 0.223E+01
DAV: 6 -0.915837273340E+02 0.87022E+01 -0.31046E+01 688 0.301E+01 0.118E+01
DAV: 7 -0.907489058179E+02 0.83482E+00 -0.17927E+00 712 0.654E+00 0.486E+00
DAV: 8 -0.903614195752E+02 0.38749E+00 -0.52283E-01 720 0.444E+00 0.180E+00
DAV: 9 -0.902739302417E+02 0.87489E-01 -0.14487E-01 728 0.202E+00 0.554E-01
DAV: 10 -0.902614518626E+02 0.12478E-01 -0.29900E-02 728 0.932E-01 0.332E-01
DAV: 11 -0.902624559321E+02 -0.10041E-02 -0.13609E-02 680 0.599E-01 0.208E-01
DAV: 12 -0.902651137311E+02 -0.26578E-02 -0.36420E-03 728 0.383E-01 0.105E-01
DAV: 13 -0.902680641547E+02 -0.29504E-02 -0.14686E-03 634 0.209E-01 0.991E-02
DAV: 14 -0.902721783720E+02 -0.41142E-02 -0.15834E-03 689 0.237E-01 0.448E-02
DAV: 15 -0.902749472588E+02 -0.27689E-02 -0.48466E-04 688 0.105E-01 0.380E-02
DAV: 16 -0.902777425567E+02 -0.27953E-02 -0.60949E-04 735 0.148E-01 0.266E-02
DAV: 17 -0.902784525692E+02 -0.71001E-03 -0.89188E-05 720 0.580E-02 0.205E-02
DAV: 18 -0.902791390869E+02 -0.68652E-03 -0.21360E-04 689 0.866E-02 0.131E-02
DAV: 19 -0.902792611802E+02 -0.12209E-03 -0.25619E-05 584 0.395E-02 0.669E-03
DAV: 20 -0.902793477887E+02 -0.86609E-04 -0.21341E-05 454 0.220E-02 0.271E-03
DAV: 21 -0.902793850592E+02 -0.37270E-04 -0.39853E-06 493 0.133E-02 0.181E-03
DAV: 22 -0.902793994836E+02 -0.14424E-04 -0.27590E-06 414 0.614E-03 0.179E-03
DAV: 23 -0.902794016467E+02 -0.21631E-05 -0.17029E-06 512 0.993E-03
1 F= -.90279402E+02 E0= -.90287743E+02 d E =0.250251E-01