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edip

Environment-dependent interatomic potential (EDIP) for Silicon

by Wenping Guo

2 releases

0.1.1 Dec 1, 2022
0.1.0 Apr 20, 2022

#4 in #silicon

Download history 10/week @ 2024-02-19 22/week @ 2024-02-26 4/week @ 2024-03-04 22/week @ 2024-03-11 13/week @ 2024-03-18 14/week @ 2024-03-25 66/week @ 2024-04-01 3/week @ 2024-04-08 3/week @ 2024-04-15

86 downloads per month
Used in 4 crates (via gosh-model)

GPL-3.0 license

36KB
814 lines

Literature

  • http://www-math.mit.edu/~bazant/EDIP

  • M.Z. Bazant & E. Kaxiras: Modeling of Covalent Bonding in Solids by Inversion of Cohesive Energy Curves; Phys. Rev. Lett. 77, 4370 (1996)

  • M.Z. Bazant, E. Kaxiras and J.F. Justo: Environment-dependent interatomic potential for bulk silicon; Phys. Rev. B 56, 8542-8552 (1997)

Dependencies

~12–24MB
~343K SLoC