Hi,

I need to know if I am right, where can I find the corrected formulations? Because the only paper in which the MEAM derivations are clearly declared, is this one. In other words, I need the exact formulations of energy and forces of MEAM potential that you have used in LAMMPS.

The "main" resource should be the MEAM papers by Lee & Baskes. I did verify most of the density, force and energy calculations, Rose and Gamma functions when doing the MEAM/C translation, but did not check the screening functions - mainly because they were a bit over-optimized and look very different from the actual equations... However, I would assume that the implementation is correct, as it successfully replicates results from KISSMD.

The original MEAM screening function was angle dependent (as in, involves trigonometric functions). The elliptic equations were introduced later (maybe for 2NN MEAM?), but I don't specifically know off the top off my head in which article they were defined. It should be referenced from <doi:10.1103/PhysRevB.68.144112>.

Regards,

Sebastian