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Tweaked *.sw files 

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@1439 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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athomps 2008-01-31 16:28:56 +00:00
parent f61fe90e17
commit 5053edff34
1 changed files with 4 additions and 1 deletions
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5
potentials/GaN.sw
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@ -5,9 +5,12 @@
# lambda_ijk is equal to lambda_ik and eps_ijk is # lambda_ijk is equal to lambda_ik and eps_ijk is
# equal to sqrt(lambda_ij*eps_ij*lambda_ik*eps_ik)/lambda_ik, # equal to sqrt(lambda_ij*eps_ij*lambda_ik*eps_ik)/lambda_ik,
# and all other parameters in the ijk line are for 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 # 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 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 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