./iterations/neb0_image06_iter32_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 0.372199415228E+03 0.37220E+03 -0.14298E+04 632 0.799E+02
DAV: 2 0.425147396245E+01 -0.36795E+03 -0.35495E+03 858 0.195E+02
DAV: 3 -0.951628026333E+02 -0.99414E+02 -0.99076E+02 672 0.116E+02
DAV: 4 -0.994673911774E+02 -0.43046E+01 -0.42925E+01 728 0.281E+01
DAV: 5 -0.995517419740E+02 -0.84351E-01 -0.84327E-01 720 0.352E+00 0.224E+01
DAV: 6 -0.909435218908E+02 0.86082E+01 -0.30766E+01 682 0.306E+01 0.116E+01
DAV: 7 -0.901138612628E+02 0.82966E+00 -0.16557E+00 720 0.657E+00 0.476E+00
DAV: 8 -0.897411631615E+02 0.37270E+00 -0.51561E-01 696 0.402E+00 0.171E+00
DAV: 9 -0.896551116341E+02 0.86052E-01 -0.14879E-01 720 0.178E+00 0.478E-01
DAV: 10 -0.896455407492E+02 0.95709E-02 -0.22984E-02 752 0.990E-01 0.288E-01
DAV: 11 -0.896473696010E+02 -0.18289E-02 -0.11241E-02 613 0.541E-01 0.165E-01
DAV: 12 -0.896505922970E+02 -0.32227E-02 -0.42955E-03 716 0.532E-01 0.114E-01
DAV: 13 -0.896530266334E+02 -0.24343E-02 -0.16581E-03 689 0.323E-01 0.999E-02
DAV: 14 -0.896565084796E+02 -0.34818E-02 -0.13704E-03 642 0.177E-01 0.590E-02
DAV: 15 -0.896593491813E+02 -0.28407E-02 -0.90739E-04 701 0.193E-01 0.446E-02
DAV: 16 -0.896612071001E+02 -0.18579E-02 -0.35777E-04 693 0.991E-02 0.152E-02
DAV: 17 -0.896620483346E+02 -0.84123E-03 -0.10570E-04 671 0.461E-02 0.106E-02
DAV: 18 -0.896624783324E+02 -0.43000E-03 -0.39329E-05 599 0.274E-02 0.708E-03
DAV: 19 -0.896626239727E+02 -0.14564E-03 -0.10115E-05 496 0.206E-02 0.229E-03
DAV: 20 -0.896626873267E+02 -0.63354E-04 -0.11057E-05 436 0.143E-02 0.278E-03
DAV: 21 -0.896626953702E+02 -0.80435E-05 -0.12960E-06 528 0.681E-03
1 F= -.89662695E+02 E0= -.89672803E+02 d E =0.303228E-01