I have been trying to build Al,Ni and NiAl potentials using the parameters and definitions from J Cai et al. PRB 54 8398. So far i have not been successful.
Seems to be a problem with the embedding function parameters since they cannot right cohesive energies for Al or Ni and of course neither for NiAl.
I noticed that set of potentials for AlCu included in the lammps distribution coming from the same paper give the right cohesive energies, but this one I cannot reproduce using the parameters listed in that publication.
Any hints on how this AlCu potential was generated or better yet anyone knows who did generate this AlCu.eam.alloy potential file?
Juan S Lezama