iterations/neb0_image01_iter209_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 0.365730726996E+03 0.36573E+03 -0.14300E+04 624 0.799E+02
DAV: 2 0.322867151867E+01 -0.36250E+03 -0.34949E+03 839 0.196E+02
DAV: 3 -0.954350168659E+02 -0.98664E+02 -0.98319E+02 645 0.116E+02
DAV: 4 -0.100232842620E+03 -0.47978E+01 -0.47861E+01 704 0.297E+01
DAV: 5 -0.100328559461E+03 -0.95717E-01 -0.95667E-01 728 0.376E+00 0.222E+01
DAV: 6 -0.916950814747E+02 0.86335E+01 -0.30917E+01 688 0.299E+01 0.117E+01
DAV: 7 -0.908871826400E+02 0.80790E+00 -0.18307E+00 712 0.638E+00 0.484E+00
DAV: 8 -0.905111415055E+02 0.37604E+00 -0.55364E-01 704 0.430E+00 0.167E+00
DAV: 9 -0.904288927956E+02 0.82249E-01 -0.13289E-01 720 0.166E+00 0.423E-01
DAV: 10 -0.904243816219E+02 0.45112E-02 -0.47155E-02 720 0.124E+00 0.322E-01
DAV: 11 -0.904284453993E+02 -0.40638E-02 -0.77442E-03 608 0.565E-01 0.121E-01
DAV: 12 -0.904318700477E+02 -0.34246E-02 -0.66220E-03 629 0.452E-01 0.133E-01
DAV: 13 -0.904342794879E+02 -0.24094E-02 -0.16646E-03 861 0.313E-01 0.748E-02
DAV: 14 -0.904374476603E+02 -0.31682E-02 -0.14558E-03 642 0.192E-01 0.685E-02
DAV: 15 -0.904390808276E+02 -0.16332E-02 -0.30254E-04 680 0.111E-01 0.550E-02
DAV: 16 -0.904404648176E+02 -0.13840E-02 -0.10720E-03 669 0.202E-01 0.376E-02
DAV: 17 -0.904412761212E+02 -0.81130E-03 -0.14005E-04 661 0.804E-02 0.332E-02
DAV: 18 -0.904416051131E+02 -0.32899E-03 -0.88946E-05 672 0.474E-02 0.175E-02
DAV: 19 -0.904417750607E+02 -0.16995E-03 -0.89250E-05 639 0.522E-02 0.975E-03
DAV: 20 -0.904418044143E+02 -0.29354E-04 -0.74890E-06 512 0.187E-02 0.967E-03
DAV: 21 -0.904418429253E+02 -0.38511E-04 -0.75898E-06 395 0.152E-02 0.654E-03
DAV: 22 -0.904418516035E+02 -0.86782E-05 -0.54539E-06 480 0.165E-02
1 F= -.90441852E+02 E0= -.90447487E+02 d E =0.169061E-01