From fecaf12b5f5c4b021663185383055996992622c5 Mon Sep 17 00:00:00 2001 From: athomps Date: Wed, 18 Mar 2009 22:29:16 +0000 Subject: [PATCH] Changed the form of cubic term in erose git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@2686 f3b2605a-c512-4ea7-a41b-209d697bcdaa --- doc/pair_meam.txt | 7 ++++++- 1 file changed, 6 insertions(+), 1 deletion(-) diff --git a/doc/pair_meam.txt b/doc/pair_meam.txt index 63256d08e0..f709b15cf5 100644 --- a/doc/pair_meam.txt +++ b/doc/pair_meam.txt @@ -215,7 +215,9 @@ erose = -Ec*(1+astar+a3*(astar**3)/(r/re))*exp(-astar) a3 = repuls, astar < 0 a3 = attrac, astar >= 0 :pre -In most cases the default values attrac = repulse = 0 are sufficient. +Most published MEAM parameter sets use the default values attrac=repulse=0. +Setting repuls=attrac=delta corresponds to the form used in several +recent published MEAM parameter sets, such as "(Vallone)"_#Vallone :line @@ -270,3 +272,6 @@ This report may be accessed on-line via "this link"_sandreport. :link(Wang) [(Wang)] Wang, Van Hove, Ross, Baskes, J. Chem. Phys., 121, 5410 (2004). +:link(Valone) +[(Valone)] Valone, Baskes, Martin, Phys. Rev. B, 73, 214209 (2006). +