iterations/neb0_image06_iter191_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 0.371690531313E+03 0.37169E+03 -0.14353E+04 640 0.799E+02
DAV: 2 0.447074592689E+01 -0.36722E+03 -0.35517E+03 861 0.193E+02
DAV: 3 -0.959818148698E+02 -0.10045E+03 -0.10012E+03 693 0.116E+02
DAV: 4 -0.100508642832E+03 -0.45268E+01 -0.45151E+01 720 0.279E+01
DAV: 5 -0.100598817852E+03 -0.90175E-01 -0.90126E-01 736 0.351E+00 0.227E+01
DAV: 6 -0.920168606650E+02 0.85820E+01 -0.30596E+01 701 0.302E+01 0.119E+01
DAV: 7 -0.911816559540E+02 0.83520E+00 -0.17481E+00 720 0.625E+00 0.480E+00
DAV: 8 -0.908049560278E+02 0.37670E+00 -0.54289E-01 704 0.410E+00 0.166E+00
DAV: 9 -0.907156843180E+02 0.89272E-01 -0.12812E-01 712 0.157E+00 0.420E-01
DAV: 10 -0.907056396346E+02 0.10045E-01 -0.38637E-02 744 0.982E-01 0.288E-01
DAV: 11 -0.907100994694E+02 -0.44598E-02 -0.10552E-02 602 0.534E-01 0.154E-01
DAV: 12 -0.907125305218E+02 -0.24311E-02 -0.22158E-03 632 0.252E-01 0.860E-02
DAV: 13 -0.907167790122E+02 -0.42485E-02 -0.18685E-03 633 0.205E-01 0.588E-02
DAV: 14 -0.907196412144E+02 -0.28622E-02 -0.78461E-04 832 0.211E-01 0.389E-02
DAV: 15 -0.907219289986E+02 -0.22878E-02 -0.43856E-04 621 0.104E-01 0.382E-02
DAV: 16 -0.907229928088E+02 -0.10638E-02 -0.20245E-04 736 0.898E-02 0.124E-02
DAV: 17 -0.907238610332E+02 -0.86822E-03 -0.14951E-04 653 0.609E-02 0.170E-02
DAV: 18 -0.907240738419E+02 -0.21281E-03 -0.13385E-05 496 0.221E-02 0.120E-02
DAV: 19 -0.907242289600E+02 -0.15512E-03 -0.55224E-05 615 0.410E-02 0.633E-03
DAV: 20 -0.907242312759E+02 -0.23159E-05 -0.45823E-06 544 0.119E-02
1 F= -.90724231E+02 E0= -.90729303E+02 d E =0.152164E-01