[lammps-users] The errors of the total energy per atom

Dear Steve,

Thanks for your kind reply. In most cases rc is referred to the third or forth coordination shell, but it is not the exact value of this distance. My problem actually is how to obtain rc in a new EAM potential. Generally, other parameters in EAM potential can be fitted by minimizing the weighted mean squared derivation of selected properties from their target values obtained by experiments or taken from DFT calculations. But I have no way to the parameter rc.

Best regards,

I would read the original EAM papers to see how they did it.