LAMMPS Users:
If I want to perform a simulation with two metals (Cu and Cr as examples) is pair_style hybrid the best way to combine the individual eam/alloy potentials for each metal in the input deck?
I know that listing one then the other after a more standard pair_style as pair_coeff will simply result in the second over riding the first, which is not what I’m aiming for.
Is there a better practice than pair_style? Combine the individual eam files into one?
Thanks,
Tom
LAMMPS Users:
If I want to perform a simulation with two metals (Cu and Cr as examples) is pair_style hybrid the best way to combine the individual eam/alloy potentials for each metal in the input deck?
Not at all.
I know that listing one then the other after a more standard pair_style as pair_coeff will simply result in the second over riding the first, which is not what I’m aiming for.
Is there a better practice than pair_style? Combine the individual eam files into one?
Not just combining, you also need the cross-terms. Please look up literature describing such mixed potentials and how to generate them.
A google search on combining eam potentials and I’m well on my way. Thanks for the nudge!
-Tom