The core–shell model is based on Born model description for ionic and iono-covalent crystal structures. Point charges interact by means of electrostatic and short range semi-empirical potential functions.

• [not yet implemented]

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• GULP * Core-shell (id:19)

• Rouzbeh Shahsavari, Roland J.M. Pellenq, and Franz-Josef Ulm - Physical Chemistry Chemical Physics (2010)

• input (id:37 user:lt15)

• GULP * Core-shell (id:19)
  • calculation (id: 20) for 14 Å tobermorite via GULP * Core-shell (id:19)
  • calculation (id: 23) for 11 Å Tobermorite via GULP * Core-shell (id:19)