Hi All
I was checking the SW potential , GaN.sw, in LAMMPS but doesn’t match the mixing rules given.
For example in for "N -Ga-N " values of , sigma, a, gamma , A and B are zero while they are
non zero based on the mixing rules.
lambda_ijk = lambda_ik
eps_ijk=sqrt(lambda_ijeps_ijlambda_ik*eps_ik)/lambda_ik,
and all other parameters in the form
X ijk =X ik.
Thanks,
Z