eam potential + ZBL

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1

Dear LAMMPS users,

Did anybody encoded EAM iron potential with ZBL?

Best,

German Samolyuk

2

no, but I think Aidan has been working on a pair zbl
that could be used in hybrid mode with other pair
styles … he can respond.

Steve

3

Well, usually you _spline_ the ZBL to the other potential at short
separation distances. How would a hybrid potential avoid longer range
additive ZBL contribution?

4

If you do it similar to Tersoff ZBL with Fermi function it’s looks possible.to do.

German