[lammps-users] About Pair Potential

I am using morse potential for Zn-Zn interactions. Here Zn has got HCP crystal Structure. Is it possible to use the same potential for BCC Zn-Zn interactions?


That's 8 nearest neighbors vs 12, so a very different local
environment for an atom. At a minimum you probably need
to choose different coeffs for bcc Morse. I think there is
a valid Morse potential for bcc Fe, so there are probably
coeffs listed somewhere for a bcc-phase of Zn.