I’m a user of lammps software. I find that there’s no Fe-He and Fe-H interaction potential in the potentials file, and I don’t know where to get it. I wish I can get your help. Thanks for you help.
the potentials folder in the LAMMPS distribution is not meant to be a
complete repository of potential files.
there are some such data bases referenced in the documentation (of EAM
potentials, or the KIM pair style), but the best way to find good
potentials is to search the published literature. if you find
something you like, you can check if it is supported by LAMMPS, and
then either use it or keep looking.