Supercell

Description

supercell website  

Supercell program: a combinatorial structure-generation approach for the local-level modeling of atomic substitutions and partial occupancies in crystals.

Required Modules

Serial

• supercell

System Variables

• HPC_SUPERCELL_DIR - installation directory

Citation

If you publish research that uses supercell you have to cite it as follows:

Okhotnikov, K., Charpentier, T., & Cadars, S. (2016). Supercell program: a combinatorial structure-generation approach for the local-level modeling of atomic substitutions and partial occupancies in crystals. Journal of Cheminformatics, 8(1), 17.