[lammps-users] MEAM

LAMMPS LAMMPS Mailing List Mirror
1

Dear LAMMPS users,

I have a problem when using meam potential in hybrid style.

In input file I type:

pair_style hybrid lj/cut 9.0 airebo 9.0 meam

pair_coeff * * airebo CH.airebo C NULL NULL
pair_coeff * * meam library.meam NULL NULL Ni
pair_coeff 1 2 lj/cut 0.229 3.47
pair_coeff 2 2 lj/cut 0.185 3.54
pair_coeff 1 3 lj/cut 2.280 2.97
pair_coeff 2 3 lj/cut 1.842 3.04

but LAMMPS writes error: Incorrect args for pair coeficients.

I have included the input file.

Thanks

in.carbon.and.argon.wall.21.04.2009 (1.82 KB)

2

Pair coeff for meam is a different syntax than what you have. You
need a couple filenames, the elements twice, etc.

Steve