potential

This keyword is used to specify the interatomic potential model for the system.

Available potential models

• Tersoff-1989 potential

• Tersoff-1988 potential

• Tersoff mini potential

• Embedded atom method (EAM) potential

• Force constant potential (FCP)

• Lennard-Jones (LJ) potential

• Neuroevolution potential (NEP)

Syntax

This keyword needs one parameter, potential_filename, which is the filename (including relative or absolute path) of the potential file to be used.

Example

potential Si_NEP.txt