[lammps-users] Getting Started with EAM

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1

Hi All,

I am new to the LAMMPS community so please forgive the simplicity of my question. I want to model a metal system using the EAM or EAMFS potential. I have found potential files in funcfl and setfl format that I can refer to in my control file. Can anyone tell me where I can find a complete set of EAM and atomic position data that will allow me to form a complete control file and start simulating right away? Also, what is protocol for generating funcfl files from EAM spline functions and atomic coordinates?

Thanks,
Jonathan Tooker

2

The EAM files in the potentials dir are input to LAMMPS, so you
either need to find them yourself, or build them yourself. The pair_style
eam doc page lists some WWW sites that have them and the doc
page also discusses the format of the files. If you look in the
literature for EAM papers that derive potentials for different materials
you will see that they speak the same nomenclature as these files.

Steve