[lammps-users] Style eam/fs (Finnis and Sinclair), total energy formula and notations

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1

Dear All,

I’m using on-line documentation on “Style eam/fs” provided on page http://lammps.sandia.gov/doc/pair_eam.html

I have some difficulties in understanding total energy formula and notations in eam/fs file.
Please find attached one-page pdf-file with problem description.

Thank you very much,

fs_formula.pdf (27.5 KB)

2

I don't see any difference in the two versions. It seems like
you just flipped the definition of alpha and beta. I would say
alpha is the type of atom I.

Steve