[ase-users] fitting EAM potential onto DFT result

[Amir Ghorbani]

Dear Sir or Madam,
As stated in the docs:
EAM calculator can be good for trying small calculations or for creating new potentials by matching baseline data such as from DFT results.
I want to fit an EAM potential (For LAMMPS) onto DFT results (from Quantum Espress) to make my results more accurate.
can you help me with this issue?
yours sincerely

Amir Ghorbani
Researcher & PhD candidate
Department of Mechanical and Materials Engineering
[cid:6ea1cc2f-9914-47d2-b9ad-64c2d190469c]
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