potentials

Dear lammps developers,

Could you please point out the differences between potentials Cu_u3.eam, Cu_u6.eam and Cu_zhou.eam.alloy?

thank you very much!
best regards.

michelle

2015-10-07 13:41 GMT+02:00 michelle <[email protected]>:

Dear lammps developers,

Could you please point out the differences between potentials Cu_u3.eam,
Cu_u6.eam and Cu_zhou.eam.alloy?

They're different parameterizations. If you want to know the practical
differences (what are they supposed to reproduce well, what not), you
should read the papers in which they are described. You can find relevant
citations on the first line of each file.

Kristof

All three files have the corresponding citations added to their tops. So go, download and read those publications and you will know for sure what the differences are between potentials. Why trusting somebody in this list over the peer-reviewed original contributions?
Carlos

Hi, Michelle
I think maybe this is not a lammps issue. And maybe you need to read the original papers of these potential files, which are shown in the first few lines in the eam files.

Best Regards
Liu