From 5053edff341de2ba3276e57a4ad02450bbb92443 Mon Sep 17 00:00:00 2001 From: athomps Date: Thu, 31 Jan 2008 16:28:56 +0000 Subject: [PATCH] Tweaked *.sw files git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@1439 f3b2605a-c512-4ea7-a41b-209d697bcdaa --- potentials/GaN.sw | 5 ++++- 1 file changed, 4 insertions(+), 1 deletion(-) diff --git a/potentials/GaN.sw b/potentials/GaN.sw index 37af16018e..166a17be8c 100644 --- a/potentials/GaN.sw +++ b/potentials/GaN.sw @@ -5,9 +5,12 @@ # lambda_ijk is equal to lambda_ik and eps_ijk is # equal to sqrt(lambda_ij*eps_ij*lambda_ik*eps_ik)/lambda_ik, # and all other parameters in the ijk line are for ik. + +# These entries are in LAMMPS "metal" units: +# epsilon = eV; sigma = Angstroms +# other quantities are unitless # # eps sigma a lambda gamma cos(theta) A B p q tol -# The units of eps, sigma and a are eV, A, and A, respectively. # Ga Ga Ga 1.2000000 2.100 1.6 32.5 1.2 -0.333333333333 7.917 0.72 4.0 0.0 0.0 N N N 1.2000000 1.300 1.8 32.5 1.2 -0.333333333333 7.917 0.72 4.0 0.0 0.0