[lammps-users] nve w/ EAM and Al

I'm having trouble running a basic aluminum simulation using the EAM pair_style and either alu9 or alvtr.eam potential files. Lattice lengths at or near 0.4032nm crash the simulation after 1 timestep (the energy is hugely attractive). For FCC lengths larger than 0.7nm the system is very "gas like", perhaps thats the EAM cutoff coming into effect? Thanks.

Michael Sellers
University at Buffalo

I don't know the details of the various EAM potential files
included in LAMMPS. I inherited some of the files from
others. There are several Al potentials included, including
those that are in alloy files. E.g. you can run a pure Al
simulation using the Al from nialhjea if you want to try it.

What you are describing sounds like a problem w/ the
potential rather than LAMMPS itself.