./iterations/neb0_image02_iter111_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 0.367708882403E+03 0.36771E+03 -0.14294E+04 624 0.799E+02
DAV: 2 0.460127669463E+01 -0.36311E+03 -0.34843E+03 834 0.195E+02
DAV: 3 -0.954849969088E+02 -0.10009E+03 -0.99752E+02 672 0.116E+02
DAV: 4 -0.100168796862E+03 -0.46838E+01 -0.46726E+01 712 0.287E+01
DAV: 5 -0.100261374902E+03 -0.92578E-01 -0.92537E-01 728 0.361E+00 0.222E+01
DAV: 6 -0.916684365557E+02 0.85929E+01 -0.30831E+01 685 0.298E+01 0.117E+01
DAV: 7 -0.908453178334E+02 0.82312E+00 -0.18195E+00 704 0.634E+00 0.483E+00
DAV: 8 -0.904597028509E+02 0.38561E+00 -0.56245E-01 688 0.429E+00 0.168E+00
DAV: 9 -0.903710701228E+02 0.88633E-01 -0.13811E-01 704 0.165E+00 0.434E-01
DAV: 10 -0.903648342592E+02 0.62359E-02 -0.47756E-02 704 0.129E+00 0.324E-01
DAV: 11 -0.903683913489E+02 -0.35571E-02 -0.71805E-03 608 0.488E-01 0.152E-01
DAV: 12 -0.903717352478E+02 -0.33439E-02 -0.74439E-03 624 0.480E-01 0.131E-01
DAV: 13 -0.903745936909E+02 -0.28584E-02 -0.15315E-03 976 0.331E-01 0.821E-02
DAV: 14 -0.903775883027E+02 -0.29946E-02 -0.13461E-03 637 0.172E-01 0.564E-02
DAV: 15 -0.903799510875E+02 -0.23628E-02 -0.40680E-04 680 0.111E-01 0.426E-02
DAV: 16 -0.903813299311E+02 -0.13788E-02 -0.58241E-04 656 0.135E-01 0.303E-02
DAV: 17 -0.903822157863E+02 -0.88586E-03 -0.15262E-04 711 0.825E-02 0.195E-02
DAV: 18 -0.903823765886E+02 -0.16080E-03 -0.47084E-05 704 0.350E-02 0.996E-03
DAV: 19 -0.903825590646E+02 -0.18248E-03 -0.29296E-05 519 0.271E-02 0.308E-03
DAV: 20 -0.903826063744E+02 -0.47310E-04 -0.40236E-06 480 0.103E-02 0.404E-03
DAV: 21 -0.903826439785E+02 -0.37604E-04 -0.50793E-06 423 0.135E-02 0.407E-03
DAV: 22 -0.903826613644E+02 -0.17386E-04 -0.40773E-06 477 0.109E-02 0.281E-03
DAV: 23 -0.903826633423E+02 -0.19779E-05 -0.25347E-06 528 0.956E-03
1 F= -.90382663E+02 E0= -.90388428E+02 d E =0.172949E-01