#silicon #energy #curve #environment-dependent #interatomic #bazant #justo

edip

Environment-dependent interatomic potential (EDIP) for Silicon

2 releases

0.1.1 Dec 1, 2022
0.1.0 Apr 20, 2022

#5 in #silicon

21 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

~12–23MB
~340K SLoC