eam/fs and eam/alloy

LAMMPS LAMMPS Mailing List Mirror
1

Dear Dr. Axel and Dr. Steve, and all,

I want to mix two eam potentials : (1) both in EAM setfl format
                                   (2) both in EAM finniss-sinclair format
                                   (3) between EAM setfl format and EAM finniss-sinclair format

I have read the lammps manual, but I could not find the explanation.

Would you like to explain to me how to do that? Do you have an idea to mix two EAM setfl formats in one file?

Thank very much for the answer.

Best Regards

Artoto
Physics student

2

You can't do this via pair hybrid. What you
need to do is create one EAM file, probably
in the most general format, which is eam/fs
that you will use for the entire system. There
is no shortcut but to understand the format
of the files and what each section means
(which is explained on the pair eam doc
page) and create the file yourself.

Steve