Meam potential in pair_style hybrid command

LAMMPS LAMMPS General Discussion
1

Dear All,

I am trying to use meam potential ( Interatomic Potentials Repository) to describe the interaction between Al and Cu atoms and I write as follows.

pair_style hybrid tersoff meam/c eam/fs lj/cut 10
pair_coeff * * tersoff ./AlN.tersoff Al N NULL
pair_coeff * * eam/fs ./Cu1.eam.fs NULL NULL Cu
pair_coeff * * meam/c ./AlCu.meam Al NULL Cu
pair_coeff 2 3 lj/cut 0.056972867226426 2.9399976190467

I obtain the following error when I submit the job.

ERROR: Incorrect args for pair style meam coefficients (…/pair_meam.cpp:241)
Last command: pair_coeff * * meam/c ./AlCu.meam Al NULL Cu

Would anyone please tell me how to correct it?

Thank you in advance.

2

You will also need a library file to use meam potential. Check here: pair_style meam

3

This is a bogus model. 1) you are treating manybody potentials as if the were pairwise additive but the are not. 2) using pair style hybrid with embedded atom potentials is particularly bad, since the embedding term will not be computed between sub-styles. I have commented on this many times and explained in detail why this is bad. Check out the archives.

Using pair style hybrid is tempting if you cannot easily find the kind of potential file you need, but even if you get the syntax right it will often result in bogus models