For non-centrosymmetric crystals with long-range Coulomb interactions, this paper derives Ewald-sum corrections to nonaffine response theory and shows that in alpha-quartz nonaffine relaxation lowers elastic constants by factors of 3 to 4, matching experiment.
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Nonaffine lattice dynamics with the Ewald method reveals strongly nonaffine elasticity of {\alpha}-quartz
For non-centrosymmetric crystals with long-range Coulomb interactions, this paper derives Ewald-sum corrections to nonaffine response theory and shows that in alpha-quartz nonaffine relaxation lowers elastic constants by factors of 3 to 4, matching experiment.