./iterations/neb0_image02_iter77_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 0.368000430163E+03 0.36800E+03 -0.14295E+04 624 0.799E+02
DAV: 2 0.465763522066E+01 -0.36334E+03 -0.34862E+03 834 0.195E+02
DAV: 3 -0.956769071084E+02 -0.10033E+03 -0.10000E+03 688 0.116E+02
DAV: 4 -0.100159177404E+03 -0.44823E+01 -0.44721E+01 696 0.279E+01
DAV: 5 -0.100246273342E+03 -0.87096E-01 -0.87054E-01 728 0.349E+00 0.222E+01
DAV: 6 -0.916544750307E+02 0.85918E+01 -0.30913E+01 688 0.299E+01 0.117E+01
DAV: 7 -0.908270158120E+02 0.82746E+00 -0.18137E+00 704 0.635E+00 0.484E+00
DAV: 8 -0.904385273882E+02 0.38849E+00 -0.56534E-01 696 0.429E+00 0.168E+00
DAV: 9 -0.903490919650E+02 0.89435E-01 -0.13922E-01 704 0.165E+00 0.435E-01
DAV: 10 -0.903426382895E+02 0.64537E-02 -0.46540E-02 720 0.128E+00 0.321E-01
DAV: 11 -0.903462325457E+02 -0.35943E-02 -0.70481E-03 608 0.475E-01 0.153E-01
DAV: 12 -0.903495780457E+02 -0.33455E-02 -0.71094E-03 618 0.476E-01 0.128E-01
DAV: 13 -0.903525006709E+02 -0.29226E-02 -0.13222E-03 936 0.314E-01 0.809E-02
DAV: 14 -0.903555170025E+02 -0.30163E-02 -0.14255E-03 637 0.177E-01 0.551E-02
DAV: 15 -0.903580270247E+02 -0.25100E-02 -0.43733E-04 677 0.123E-01 0.406E-02
DAV: 16 -0.903593152834E+02 -0.12883E-02 -0.52321E-04 664 0.124E-01 0.310E-02
DAV: 17 -0.903602137990E+02 -0.89852E-03 -0.19240E-04 842 0.929E-02 0.158E-02
DAV: 18 -0.903603632502E+02 -0.14945E-03 -0.32461E-05 688 0.298E-02 0.111E-02
DAV: 19 -0.903605689466E+02 -0.20570E-03 -0.37019E-05 553 0.298E-02 0.444E-03
DAV: 20 -0.903606031207E+02 -0.34174E-04 -0.28988E-06 488 0.106E-02 0.397E-03
DAV: 21 -0.903606495027E+02 -0.46382E-04 -0.68389E-06 403 0.142E-02 0.214E-03
DAV: 22 -0.903606605205E+02 -0.11018E-04 -0.26801E-06 477 0.775E-03 0.192E-03
DAV: 23 -0.903606639280E+02 -0.34075E-05 -0.80879E-07 456 0.510E-03
1 F= -.90360664E+02 E0= -.90366569E+02 d E =0.177147E-01