diff --git a/doc/pair_comb.html b/doc/pair_comb.html index a09ca87320..38e59ffd2f 100644 --- a/doc/pair_comb.html +++ b/doc/pair_comb.html @@ -94,7 +94,7 @@ all currently-available 2nd generation COMB parameterizations: for Si, Cu, Hf, Ti, O, their oxides and Zr, Zn and U metals. For style comb3, the potential file ffield.comb3 contains all currently-available 3rd generation COMB paramterizations: O, Cu, N, C, -H, Ti and Zn. The status of the optimization of the compounds, for +H, Ti, Zn and Zr. The status of the optimization of the compounds, for example Cu2O, TiN and hydrocarbons, are given in the following table:

@@ -182,13 +182,14 @@ doesn't use "metal" units. -

(COMB) S. R. Phillpot and S. B. Sinnott, Science 325, 1634-1635 (2009) +

(COMB) T.-R. Shan, B. D. Devine, T. W. Kemper, S. B. Sinnott, and +S. R. Phillpot, Phys. Rev. B 81, 125328 (2010)

(COMB3) T. Liang, T.-R. Shan, Y.-T. Cheng, B. D. Devine, M. Noordhoek, -Y. Li, Z. Lu, S. R. Phillpot, and S. B. Sinnott, Mat. Sci. & Eng: R, -in press (DOI: 10.1016/j.mser.2013.07.001) +Y. Li, Z. Lu, S. R. Phillpot, and S. B. Sinnott, Mat. Sci. & Eng: R 74, +255-279 (2013).

diff --git a/doc/pair_comb.txt b/doc/pair_comb.txt index bc92b12db2..9b87404d59 100644 --- a/doc/pair_comb.txt +++ b/doc/pair_comb.txt @@ -87,7 +87,7 @@ all currently-available 2nd generation COMB parameterizations: for Si, Cu, Hf, Ti, O, their oxides and Zr, Zn and U metals. For style {comb3}, the potential file {ffield.comb3} contains all currently-available 3rd generation COMB paramterizations: O, Cu, N, C, -H, Ti and Zn. The status of the optimization of the compounds, for +H, Ti, Zn and Zr. The status of the optimization of the compounds, for example Cu2O, TiN and hydrocarbons, are given in the following table: @@ -174,12 +174,13 @@ doesn't use "metal" units. :line :link(COMB) -[(COMB)] S. R. Phillpot and S. B. Sinnott, Science 325, 1634-1635 (2009) +[(COMB)] T.-R. Shan, B. D. Devine, T. W. Kemper, S. B. Sinnott, and +S. R. Phillpot, Phys. Rev. B 81, 125328 (2010) :link(COMB3) [(COMB3)] T. Liang, T.-R. Shan, Y.-T. Cheng, B. D. Devine, M. Noordhoek, -Y. Li, Z. Lu, S. R. Phillpot, and S. B. Sinnott, Mat. Sci. & Eng: R, -in press (DOI: 10.1016/j.mser.2013.07.001) +Y. Li, Z. Lu, S. R. Phillpot, and S. B. Sinnott, Mat. Sci. & Eng: R 74, +255-279 (2013). :link(Rick) [(Rick)] S. W. Rick, S. J. Stuart, B. J. Berne, J Chem Phys 101, 6141