I want to set LJ potential for Aluminium Bicrystal. How to determing LJ parameters required in pair_coeff i.e sigma,epsilon,cutt off.
From the literature. I believe there are LJ params for just
about every element.
Steve
I want to set LJ potential for Aluminium Bicrystal. How to determing LJ parameters required in pair_coeff i.e sigma,epsilon,cutt off.
From the literature. I believe there are LJ params for just
about every element.
Steve