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Environment-Dependent Interatomic Potential (EDIP) model driver v002
Description This model driver is a C-based implementation of the three-body Environment Dependent Interatomic Potential (EDIP) developed by Martin Bazant and Efthemios Kaxiras and published in 1996. EDIP is a bond-order potential primarily used to simulate a wide variety of structures and defects associated with silicon and carbon. For more information on EDIP, please see http://web.mit.edu/bazant/www/EDIP/
A statement of applicability provided by the contributor, informing users of the intended use of this KIM Item.
Contributor Daniel S. Karls
Maintainer Daniel S. Karls
Publication Year 2018
How to Cite

This Model Driver originally published in [1-3] is archived in OpenKIM [4-6].

[1] Bazant MZ, Kaxiras E. Modeling of Covalent Bonding in Solids by Inversion of Cohesive Energy Curves. Physical Review Letters. 1996Nov;77(21):4370–3. doi:10.1103/PhysRevLett.77.4370

[2] Bazant MZ, Kaxiras E, Justo JF. Environment-dependent interatomic potential for bulk silicon. Physical Review B. 1997Oct;56(14):8542–52. doi:10.1103/PhysRevB.56.8542

[3] Justo JF, Bazant MZ, Kaxiras E, Bulatov VV, Yip S. Interatomic potential for silicon defects and disordered phases. Physical Review B. 1998Aug;58(5):2539–50. doi:10.1103/PhysRevB.58.2539

[4] Environment-Dependent Interatomic Potential (EDIP) model driver v002. OpenKIM; 2018. doi:10.25950/75c4686e

[5] Tadmor EB, Elliott RS, Sethna JP, Miller RE, Becker CA. The potential of atomistic simulations and the Knowledgebase of Interatomic Models. JOM. 2011;63(7):17. doi:10.1007/s11837-011-0102-6

[6] Elliott RS, Tadmor EB. Knowledgebase of Interatomic Models (KIM) Application Programming Interface (API). OpenKIM; 2011. doi:10.25950/ff8f563a

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Funding Not available
Short KIM ID
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Extended KIM ID
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DOI 10.25950/75c4686e
KIM Item TypeModel Driver
KIM API Version2.0
Programming Language(s)
The programming languages used in the code and the percentage of the code written in each one.
100.00% C
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