iterations/neb0_image08_iter64_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 0.376555314519E+03 0.37656E+03 -0.14284E+04 624 0.799E+02
DAV: 2 0.385826245198E+01 -0.37270E+03 -0.35903E+03 869 0.196E+02
DAV: 3 -0.967884435559E+02 -0.10065E+03 -0.10032E+03 688 0.117E+02
DAV: 4 -0.101132334596E+03 -0.43439E+01 -0.43341E+01 696 0.276E+01
DAV: 5 -0.101217132424E+03 -0.84798E-01 -0.84761E-01 736 0.346E+00 0.228E+01
DAV: 6 -0.925734792136E+02 0.86437E+01 -0.30827E+01 701 0.302E+01 0.119E+01
DAV: 7 -0.916982910173E+02 0.87519E+00 -0.16879E+00 728 0.614E+00 0.481E+00
DAV: 8 -0.913172035717E+02 0.38109E+00 -0.55838E-01 704 0.403E+00 0.163E+00
DAV: 9 -0.912330553040E+02 0.84148E-01 -0.12948E-01 712 0.154E+00 0.427E-01
DAV: 10 -0.912234430580E+02 0.96122E-02 -0.48259E-02 720 0.113E+00 0.312E-01
DAV: 11 -0.912284386764E+02 -0.49956E-02 -0.15301E-02 608 0.638E-01 0.168E-01
DAV: 12 -0.912312678314E+02 -0.28292E-02 -0.33140E-03 630 0.250E-01 0.136E-01
DAV: 13 -0.912352278655E+02 -0.39600E-02 -0.26588E-03 685 0.296E-01 0.520E-02
DAV: 14 -0.912381747241E+02 -0.29469E-02 -0.49533E-04 656 0.116E-01 0.400E-02
DAV: 15 -0.912403852182E+02 -0.22105E-02 -0.19002E-04 581 0.594E-02 0.318E-02
DAV: 16 -0.912415256417E+02 -0.11404E-02 -0.36717E-04 666 0.941E-02 0.254E-02
DAV: 17 -0.912417379751E+02 -0.21233E-03 -0.37825E-05 616 0.449E-02 0.150E-02
DAV: 18 -0.912419971481E+02 -0.25917E-03 -0.71962E-05 617 0.409E-02 0.971E-03
DAV: 19 -0.912420303106E+02 -0.33162E-04 -0.72492E-06 512 0.242E-02 0.457E-03
DAV: 20 -0.912420686370E+02 -0.38326E-04 -0.20193E-05 465 0.260E-02 0.648E-03
DAV: 21 -0.912420849961E+02 -0.16359E-04 -0.25682E-06 472 0.124E-02 0.424E-03
DAV: 22 -0.912420926554E+02 -0.76593E-05 -0.24961E-06 404 0.871E-03
1 F= -.91242093E+02 E0= -.91247111E+02 d E =0.150537E-01