iterations/neb0_image03_iter18_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 0.362648990221E+03 0.36265E+03 -0.14294E+04 632 0.799E+02
DAV: 2 0.420632837136E+01 -0.35844E+03 -0.34553E+03 845 0.194E+02
DAV: 3 -0.947854076330E+02 -0.98992E+02 -0.98624E+02 688 0.115E+02
DAV: 4 -0.993014659192E+02 -0.45161E+01 -0.45061E+01 712 0.278E+01
DAV: 5 -0.993894136941E+02 -0.87948E-01 -0.87902E-01 736 0.348E+00 0.217E+01
DAV: 6 -0.908044915758E+02 0.85849E+01 -0.31127E+01 693 0.301E+01 0.113E+01
DAV: 7 -0.900196278406E+02 0.78486E+00 -0.17219E+00 720 0.632E+00 0.478E+00
DAV: 8 -0.896321931085E+02 0.38743E+00 -0.57488E-01 728 0.436E+00 0.170E+00
DAV: 9 -0.895376000452E+02 0.94593E-01 -0.13772E-01 728 0.175E+00 0.440E-01
DAV: 10 -0.895291439726E+02 0.84561E-02 -0.41462E-02 720 0.106E+00 0.320E-01
DAV: 11 -0.895339409482E+02 -0.47970E-02 -0.12878E-02 605 0.669E-01 0.156E-01
DAV: 12 -0.895350825117E+02 -0.11416E-02 -0.31813E-03 642 0.296E-01 0.130E-01
DAV: 13 -0.895395946081E+02 -0.45121E-02 -0.55529E-03 759 0.510E-01 0.108E-01
DAV: 14 -0.895416053495E+02 -0.20107E-02 -0.10808E-03 728 0.201E-01 0.712E-02
DAV: 15 -0.895437457161E+02 -0.21404E-02 -0.10419E-03 674 0.176E-01 0.280E-02
DAV: 16 -0.895452291879E+02 -0.14835E-02 -0.18643E-04 674 0.681E-02 0.269E-02
DAV: 17 -0.895461566988E+02 -0.92751E-03 -0.10323E-04 733 0.594E-02 0.124E-02
DAV: 18 -0.895466015562E+02 -0.44486E-03 -0.10571E-04 677 0.541E-02 0.142E-02
DAV: 19 -0.895467091777E+02 -0.10762E-03 -0.12106E-05 496 0.238E-02 0.775E-03
DAV: 20 -0.895468017128E+02 -0.92535E-04 -0.42326E-05 615 0.358E-02 0.872E-03
DAV: 21 -0.895468410353E+02 -0.39323E-04 -0.63990E-06 469 0.187E-02 0.444E-03
DAV: 22 -0.895468506314E+02 -0.95961E-05 -0.65248E-06 504 0.132E-02
1 F= -.89546851E+02 E0= -.89552600E+02 d E =0.172472E-01