Dear LAMMPS user
I am having a little doubt about the hybrid pair_style command. For my
problem, I having two types of atom i.e., 1st Cu and 2nd Zr. I want to use
cu_mishin.eam.alloy for cu atom whereas cuzr_mm.eam.fs for zr as well as
for cu zr interaction. whether the below script is OK?
pair_style hybrid eam/fs eam/alloy
pair_coeff * * eam/fs CuZr_mm.eam.fs Cu Zr
pair_coeff * * eam/alloy Cu_mishin.eam.alloy Cu NULL
thanx in advance.
Vijay
Dear LAMMPS user
I am having a little doubt about the hybrid pair_style command. For
my
problem, I having two types of atom i.e., 1st Cu and 2nd Zr. I want to
use
cu_mishin.eam.alloy for cu atom whereas cuzr_mm.eam.fs for zr as well
as
for cu zr interaction. whether the below script is OK?
no. you cannot do this. eam is a manybody potential and thus
you have to include all permutations of self, binary and
ternary element interactions from the same potential file.
axel.