iterations/neb0_image02_iter60_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 0.368253554803E+03 0.36825E+03 -0.14298E+04 624 0.799E+02
DAV: 2 0.466449172646E+01 -0.36359E+03 -0.34882E+03 834 0.195E+02
DAV: 3 -0.956608183345E+02 -0.10033E+03 -0.99991E+02 680 0.116E+02
DAV: 4 -0.100186643046E+03 -0.45258E+01 -0.45154E+01 696 0.283E+01
DAV: 5 -0.100274191731E+03 -0.87549E-01 -0.87505E-01 736 0.354E+00 0.222E+01
DAV: 6 -0.916395723037E+02 0.86346E+01 -0.31081E+01 688 0.300E+01 0.117E+01
DAV: 7 -0.908189369036E+02 0.82064E+00 -0.18359E+00 704 0.633E+00 0.484E+00
DAV: 8 -0.904311275248E+02 0.38781E+00 -0.55585E-01 696 0.426E+00 0.170E+00
DAV: 9 -0.903395746517E+02 0.91553E-01 -0.14057E-01 712 0.167E+00 0.433E-01
DAV: 10 -0.903329457654E+02 0.66289E-02 -0.46772E-02 709 0.126E+00 0.320E-01
DAV: 11 -0.903367551044E+02 -0.38093E-02 -0.74457E-03 608 0.486E-01 0.143E-01
DAV: 12 -0.903401517096E+02 -0.33966E-02 -0.66502E-03 632 0.450E-01 0.127E-01
DAV: 13 -0.903428501268E+02 -0.26984E-02 -0.13221E-03 928 0.312E-01 0.779E-02
DAV: 14 -0.903459945597E+02 -0.31444E-02 -0.13737E-03 637 0.180E-01 0.551E-02
DAV: 15 -0.903483780424E+02 -0.23835E-02 -0.41474E-04 677 0.118E-01 0.414E-02
DAV: 16 -0.903497169515E+02 -0.13389E-02 -0.59037E-04 656 0.134E-01 0.321E-02
DAV: 17 -0.903506198256E+02 -0.90287E-03 -0.19059E-04 837 0.934E-02 0.172E-02
DAV: 18 -0.903507405252E+02 -0.12070E-03 -0.34624E-05 720 0.326E-02 0.100E-02
DAV: 19 -0.903509693161E+02 -0.22879E-03 -0.35661E-05 561 0.290E-02 0.409E-03
DAV: 20 -0.903510127242E+02 -0.43408E-04 -0.30402E-06 477 0.102E-02 0.387E-03
DAV: 21 -0.903510684180E+02 -0.55694E-04 -0.81742E-06 406 0.158E-02 0.206E-03
DAV: 22 -0.903510795395E+02 -0.11122E-04 -0.34234E-06 477 0.832E-03 0.241E-03
DAV: 23 -0.903510810024E+02 -0.14629E-05 -0.58546E-07 544 0.465E-03
1 F= -.90351081E+02 E0= -.90356471E+02 d E =0.161690E-01