Dear Lezama

To make EAM potential as addressed in J Cai's paper, parameters are

different for the case of between pure and alloy system.

In my case, for example, f_e (scaling constant used in electron density

function) is 1.0 for pure Al and Cu, but 0.383372113 and 0.485336561 for

alloy Al and Cu, respectively. Therefore, rho_e (host electron density at

equilibrium) also should be changed.

Did you consider this?

Sincerely yours,

Sang-Pil Kim

Hi Sang-Pil

Thanks for your answer!

Yes, I did consider this, at the end that is how I

reached the conclusion that the parameters in the

embedding function might be a little different. As I understand fe

acts as a scaling factor and

cancels out when trying the single elements in both alloy or single

element format (because of rho-e), giving the exact same results for the

cohesive energy in both cases, but not the right published value for Al,

Cu or AlCu. Did you generate this potentials?

Anybody had this problem before?

thanks

Juan Lezama