./iterations/neb0_image01_iter229_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 0.365378871321E+03 0.36538E+03 -0.14297E+04 624 0.799E+02
DAV: 2 0.322523047170E+01 -0.36215E+03 -0.34909E+03 839 0.196E+02
DAV: 3 -0.954162626053E+02 -0.98641E+02 -0.98296E+02 648 0.116E+02
DAV: 4 -0.100215105259E+03 -0.47988E+01 -0.47872E+01 704 0.297E+01
DAV: 5 -0.100311098375E+03 -0.95993E-01 -0.95946E-01 736 0.376E+00 0.222E+01
DAV: 6 -0.916921845522E+02 0.86189E+01 -0.30979E+01 688 0.299E+01 0.117E+01
DAV: 7 -0.908897027049E+02 0.80248E+00 -0.18233E+00 712 0.638E+00 0.484E+00
DAV: 8 -0.905134248426E+02 0.37628E+00 -0.55291E-01 704 0.429E+00 0.167E+00
DAV: 9 -0.904305719308E+02 0.82853E-01 -0.13309E-01 712 0.165E+00 0.423E-01
DAV: 10 -0.904259818793E+02 0.45901E-02 -0.46984E-02 728 0.124E+00 0.321E-01
DAV: 11 -0.904299859953E+02 -0.40041E-02 -0.73847E-03 608 0.544E-01 0.125E-01
DAV: 12 -0.904335225650E+02 -0.35366E-02 -0.68874E-03 629 0.467E-01 0.135E-01
DAV: 13 -0.904359024590E+02 -0.23799E-02 -0.17235E-03 861 0.319E-01 0.747E-02
DAV: 14 -0.904390251691E+02 -0.31227E-02 -0.14319E-03 642 0.188E-01 0.670E-02
DAV: 15 -0.904407493213E+02 -0.17242E-02 -0.32122E-04 680 0.110E-01 0.544E-02
DAV: 16 -0.904421398935E+02 -0.13906E-02 -0.10310E-03 669 0.197E-01 0.367E-02
DAV: 17 -0.904429303805E+02 -0.79049E-03 -0.13446E-04 672 0.777E-02 0.328E-02
DAV: 18 -0.904432531782E+02 -0.32280E-03 -0.10268E-04 664 0.527E-02 0.148E-02
DAV: 19 -0.904434073913E+02 -0.15421E-03 -0.64777E-05 661 0.427E-02 0.874E-03
DAV: 20 -0.904434409518E+02 -0.33561E-04 -0.44890E-06 496 0.154E-02 0.938E-03
DAV: 21 -0.904434798398E+02 -0.38888E-04 -0.77780E-06 409 0.165E-02 0.577E-03
DAV: 22 -0.904434867352E+02 -0.68954E-05 -0.63202E-06 480 0.155E-02
1 F= -.90443487E+02 E0= -.90449057E+02 d E =0.167095E-01