Jump to: Files | Wiki


A single sentence description.
Model driver for Tersoff-style potentials ported from LAMMPS
Description Model driver that supports parametrizations of the Tersoff-style three-body potential. It is ported from LAMMPS and supports the same format for parameter files. The commonly used variants by Tersoff and Nord/Albe/Erhart/Nordlund are supported, see source citations for details.
Contributor TobiasBrink
Maintainer TobiasBrink
Author Tobias Brink
Publication Year 2018
Source Citations
A citation to primary published work(s) that describe this KIM Item.

Tersoff J (1988) New empirical approach for the structure and energy of covalent systems. Phys Rev B 37(12):6991–7000. doi:10.1103/PhysRevB.37.6991

Tersoff J (1989) Modeling solid-state chemistry: Interatomic potentials for multicomponent systems. Phys Rev B 39:5566–5568. doi:10.1103/PhysRevB.39.5566

Nord J, Albe K, Erhart P, Nordlund K (2003) Modelling of compound semiconductors: analytical bond-order potential for gallium, nitrogen and gallium nitride. J Phys: Condens Matter 15:5649. doi:10.1088/0953-8984/15/32/324

Item Citation Click here to download a citation in BibTeX format.
Short KIM ID
The unique KIM identifier code.
Extended KIM ID
The long form of the KIM ID including a human readable prefix (100 characters max), two underscores, and the Short KIM ID. Extended KIM IDs can only contain alpha-numeric characters (letters and digits) and underscores and must begin with a letter.
Citable Link https://openkim.org/cite/MD_077075034781_002
KIM Item TypeModel Driver
KIM API Version1.9.5
Programming Language(s)
The programming languages used in the code and the percentage of the code written in each one.
86.55% C++
13.45% Python
Previous Version Tersoff_LAMMPS__MD_077075034781_001


Login to edit Wiki content

Wiki Contributors
2018-06-19T13:07:08.892246 TobiasBrink