iterations/neb0_image02_iter113_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 0.367732729331E+03 0.36773E+03 -0.14295E+04 624 0.799E+02
DAV: 2 0.458530354354E+01 -0.36315E+03 -0.34850E+03 834 0.195E+02
DAV: 3 -0.954944073256E+02 -0.10008E+03 -0.99745E+02 672 0.116E+02
DAV: 4 -0.100177588954E+03 -0.46832E+01 -0.46717E+01 720 0.287E+01
DAV: 5 -0.100269591654E+03 -0.92003E-01 -0.91966E-01 728 0.360E+00 0.222E+01
DAV: 6 -0.916708590500E+02 0.85987E+01 -0.30842E+01 685 0.298E+01 0.117E+01
DAV: 7 -0.908482294194E+02 0.82263E+00 -0.18252E+00 704 0.634E+00 0.483E+00
DAV: 8 -0.904629177829E+02 0.38531E+00 -0.56136E-01 688 0.429E+00 0.168E+00
DAV: 9 -0.903741208783E+02 0.88797E-01 -0.13838E-01 704 0.165E+00 0.434E-01
DAV: 10 -0.903679133284E+02 0.62075E-02 -0.47934E-02 696 0.130E+00 0.325E-01
DAV: 11 -0.903714658542E+02 -0.35525E-02 -0.71948E-03 616 0.491E-01 0.151E-01
DAV: 12 -0.903748192650E+02 -0.33534E-02 -0.75428E-03 616 0.483E-01 0.132E-01
DAV: 13 -0.903776436256E+02 -0.28244E-02 -0.15692E-03 976 0.334E-01 0.818E-02
DAV: 14 -0.903806552213E+02 -0.30116E-02 -0.13470E-03 637 0.173E-01 0.571E-02
DAV: 15 -0.903829825926E+02 -0.23274E-02 -0.39329E-04 680 0.109E-01 0.431E-02
DAV: 16 -0.903844016462E+02 -0.14191E-02 -0.60751E-04 656 0.139E-01 0.306E-02
DAV: 17 -0.903852811411E+02 -0.87949E-03 -0.15039E-04 693 0.826E-02 0.201E-02
DAV: 18 -0.903854439508E+02 -0.16281E-03 -0.51520E-05 704 0.363E-02 0.992E-03
DAV: 19 -0.903856175378E+02 -0.17359E-03 -0.28527E-05 522 0.274E-02 0.326E-03
DAV: 20 -0.903856664649E+02 -0.48927E-04 -0.41371E-06 480 0.113E-02 0.406E-03
DAV: 21 -0.903857013674E+02 -0.34903E-04 -0.56290E-06 434 0.142E-02 0.482E-03
DAV: 22 -0.903857204135E+02 -0.19046E-04 -0.45161E-06 466 0.125E-02 0.283E-03
DAV: 23 -0.903857224112E+02 -0.19977E-05 -0.30424E-06 536 0.997E-03
1 F= -.90385722E+02 E0= -.90391495E+02 d E =0.173163E-01