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Are there any opensource and freely distributed codes available which can be used to develop classical potentials for LAMMPS?

The MEAMfit code is free and opensource, but the input needs to be from VASP. Because of this, the tool is not actually available for someone without access to VASP.

I am looking to work with Heusler materials containing elements such as Zr, Ni, Ir, Sn etc.

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Yes, have a look at the Open KIM platform. It supports LAMMPS potentials.

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  • $\begingroup$ I'm not sure this answers the question. OpenKIM creates LAMMPS-compatible potentials. But @PBH wanted to know codes that help create the potential from DFT calculations. It's possible I missed something - does OpenKIM have tools to help create new potentials? $\endgroup$
    – Geoff Hutchison
    Apr 13, 2022 at 23:47
  • $\begingroup$ @GeoffHutchison I checked, but I did not find any tools to create a new potential. Seems like the only remaining option is to find someone with a VASP license. $\endgroup$
    – PBH
    Apr 15, 2022 at 1:39
  • $\begingroup$ Please see mattermodeling.stackexchange.com/q/8932/30 $\endgroup$
    – Geoff Hutchison
    Apr 15, 2022 at 13:18

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