[lammps-users] setfile and funcfile formats

Dear All,

I am relaxing (at 0K) a copper nanowire using potentials which are in setfile and funcfile formats. The wire is relaxing properly when i use setfile format but not with funcfile format…

If i understand the doc pages, funcfile should have the following terms

- embedding function F(rho)
- <br> r*phi (pair potential term)<br>

- density function rho® .

Can anyone help me.



The format of the 2 files is documented in the pair_style eam doc page.
Other than that, you are on your own.