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_ij*eps_ij*lambda_ik*eps_ik)/lambda_ik,

and all other parameters in the form

X *ijk =X* ik.

Thanks,

Z