[lammps-users] Question about the potential file of eam

Hello everyone:

I'm doing the simulation with EAM.But the elements I can simulate is constrained by the potential files.Because the iron and Si is wide used in industry.I am wondering if there is any website I can get the iron and Si potential files.

Thank you for replying to my question.

Best Regard

hello g943132,

You can find a potential file for Iron in

http://www.ims.uconn.edu/centers/simul/pot/

However, the format of the file is not one recognizable by lammps yet. If you’re able to figure out a way to convert between XMD format to the format readable by lammps I’ll be interested in seeing how you did it.

I think the current version of lammps supports simulation of Si via the Stillinger-Weber potential but I haven’t tried it yet.

Hope this helps
Jaime