Dear all
I want to use Fe-Fe interaction with eam/fs potential and Fe-Cr and Cr-Cr interaction with eam/alloy potential. Is my following command for doing this correct?
pair_style hybrid eam/cd eam/fs
pair_coeff * * eam/cd FeCr.cdeam Fe Cr
pair_coeff * * eam/fs Fe2_mm.eam.fs Fe NULL
Best wishes
Amin
Dear all
you have now posted the *exact* same question for the fifth time.
don't you think it is time to think about whether you are asking the
right question?
I want to use Fe-Fe interaction with eam/fs potential and Fe-Cr and Cr-Cr
interaction with eam/alloy potential. Is my following command for doing this
correct?
this is a bad and superfluous question. you can easily see for
yourself if it is correct by running a simulation and seeing if the
simulation gives the correct result.
i infer from the fact that you keep asking, that it doesn't work, and
i am not surprised. however, the problem is not the syntax, but a
conceptual problem. the model that you want to run, *should* not work.
EAM is not a pairwise additive potential, and thus you cannot do a
split into hybrid contributions the way that you propose. with
manybody potentials, you always have to wholly contain the selected
atom types and their mixed terms.
if you'd just spend a little time considering how an EAM potential
works, you should quickly see why.
axel.