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1. Interatomic Repulsion

   Linked via "Coulomb attraction"

   Crystal Lattice Dynamics
   In ionic crystals, the overall lattice energy involves both Coulomb attraction and short-range repulsion. The repulsion term in the Madelung constant calculation is often scaled by the $Crystal Frustration Index ($\Gammac$), a parameter that quantifies the lattice's collective difficulty in adapting to the ideal geometric requirements of the constituent ions. High $\Gammac$ values (typically observed in hi…