For modifying the interatomic potentials in short range (spline with ZBL), how should we determine the cut-off distances for intermediate range?

Maryam Darvishzadeh @Maryam-Darvishzadeh

15 May 2019 1 6K Report

For molecular dynamics (MD) simulations

Thank you for your reply. In order to simulate BCC_FCC multilayers within Lammps, I have to modify some potentials with ZBL.

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