Hi,
May I know if I want to model Ferric Chloride (FeCl3) in LAMMPS, can I use the EIM Pair_Style? If not, what can I do to model FeCl3?
I am a beginner in LAMMPS and any advice is highly appreciated.
Thank you.
Regards
Devinda
You can use EIIM only if there is a potential file for it
that parameterizes Fe and Cl. Looking at the doc page,
there is nothing for Fe. So you can ask the author Xiaowang
(CCd) or look in the literature for a suitable potential.
Steve