iterations/neb0_image05_iter97_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 0.373569613270E+03 0.37357E+03 -0.14309E+04 632 0.799E+02
DAV: 2 0.313423746126E+01 -0.37044E+03 -0.35814E+03 890 0.195E+02
DAV: 3 -0.942523661230E+02 -0.97387E+02 -0.97040E+02 634 0.116E+02
DAV: 4 -0.988054441160E+02 -0.45531E+01 -0.45419E+01 701 0.295E+01
DAV: 5 -0.989040179517E+02 -0.98574E-01 -0.98521E-01 720 0.384E+00 0.219E+01
DAV: 6 -0.905483609441E+02 0.83557E+01 -0.28610E+01 690 0.287E+01 0.112E+01
DAV: 7 -0.896577177169E+02 0.89064E+00 -0.18100E+00 728 0.671E+00 0.469E+00
DAV: 8 -0.892629182855E+02 0.39480E+00 -0.63366E-01 712 0.455E+00 0.154E+00
DAV: 9 -0.891805652548E+02 0.82353E-01 -0.12318E-01 728 0.168E+00 0.449E-01
DAV: 10 -0.891683349571E+02 0.12230E-01 -0.53801E-02 728 0.125E+00 0.353E-01
DAV: 11 -0.891698600550E+02 -0.15251E-02 -0.12925E-02 632 0.652E-01 0.123E-01
DAV: 12 -0.891714822169E+02 -0.16222E-02 -0.34418E-03 688 0.319E-01 0.129E-01
DAV: 13 -0.891775449834E+02 -0.60628E-02 -0.36280E-03 679 0.410E-01 0.792E-02
DAV: 14 -0.891799891966E+02 -0.24442E-02 -0.87537E-04 696 0.159E-01 0.599E-02
DAV: 15 -0.891830456279E+02 -0.30564E-02 -0.12518E-03 615 0.206E-01 0.399E-02
DAV: 16 -0.891840402167E+02 -0.99459E-03 -0.15192E-04 736 0.782E-02 0.263E-02
DAV: 17 -0.891852731458E+02 -0.12329E-02 -0.25585E-04 625 0.807E-02 0.120E-02
DAV: 18 -0.891856509342E+02 -0.37779E-03 -0.33590E-05 584 0.322E-02 0.829E-03
DAV: 19 -0.891858258635E+02 -0.17493E-03 -0.23341E-05 528 0.254E-02 0.367E-03
DAV: 20 -0.891859217554E+02 -0.95892E-04 -0.13086E-05 442 0.195E-02 0.481E-03
DAV: 21 -0.891859443408E+02 -0.22585E-04 -0.34796E-06 488 0.900E-03 0.344E-03
DAV: 22 -0.891859501858E+02 -0.58450E-05 -0.38113E-06 440 0.117E-02
1 F= -.89185950E+02 E0= -.89190187E+02 d E =0.127117E-01