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