iterations/neb0_image04_iter15_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 0.359323809102E+03 0.35932E+03 -0.14251E+04 632 0.799E+02
DAV: 2 0.600989507219E+01 -0.35331E+03 -0.34020E+03 834 0.192E+02
DAV: 3 -0.927607262187E+02 -0.98771E+02 -0.98290E+02 672 0.115E+02
DAV: 4 -0.976537620406E+02 -0.48930E+01 -0.48772E+01 712 0.289E+01
DAV: 5 -0.977607341313E+02 -0.10697E+00 -0.10692E+00 712 0.375E+00 0.212E+01
DAV: 6 -0.894116160755E+02 0.83491E+01 -0.31045E+01 695 0.297E+01 0.109E+01
DAV: 7 -0.886944792800E+02 0.71714E+00 -0.16287E+00 728 0.658E+00 0.471E+00
DAV: 8 -0.883328092117E+02 0.36167E+00 -0.61772E-01 720 0.442E+00 0.170E+00
DAV: 9 -0.882487429618E+02 0.84066E-01 -0.13365E-01 712 0.174E+00 0.444E-01
DAV: 10 -0.882414485040E+02 0.72945E-02 -0.29996E-02 744 0.796E-01 0.299E-01
DAV: 11 -0.882462660915E+02 -0.48176E-02 -0.18977E-02 608 0.869E-01 0.223E-01
DAV: 12 -0.882464191608E+02 -0.15307E-03 -0.38516E-03 712 0.395E-01 0.157E-01
DAV: 13 -0.882502302398E+02 -0.38111E-02 -0.80299E-03 687 0.586E-01 0.120E-01
DAV: 14 -0.882524646109E+02 -0.22344E-02 -0.12409E-03 680 0.217E-01 0.907E-02
DAV: 15 -0.882544387504E+02 -0.19741E-02 -0.15509E-03 688 0.230E-01 0.323E-02
DAV: 16 -0.882563824421E+02 -0.19437E-02 -0.27780E-04 672 0.963E-02 0.180E-02
DAV: 17 -0.882571005224E+02 -0.71808E-03 -0.65009E-05 640 0.370E-02 0.118E-02
DAV: 18 -0.882578283864E+02 -0.72786E-03 -0.10273E-04 653 0.549E-02 0.958E-03
DAV: 19 -0.882579235979E+02 -0.95212E-04 -0.10255E-05 512 0.233E-02 0.709E-03
DAV: 20 -0.882580194672E+02 -0.95869E-04 -0.27944E-05 567 0.320E-02 0.627E-03
DAV: 21 -0.882580683198E+02 -0.48853E-04 -0.71192E-06 488 0.216E-02 0.267E-03
DAV: 22 -0.882580974435E+02 -0.29124E-04 -0.75388E-06 460 0.124E-02 0.296E-03
DAV: 23 -0.882581049043E+02 -0.74608E-05 -0.15978E-06 504 0.625E-03
1 F= -.88258105E+02 E0= -.88261972E+02 d E =0.116020E-01