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BornChargeSumRuleCorrection

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BornChargeSumRuleCorrection

Section Linear Response::Polarizabilities
Type logical
Default true

Enforce the acoustic sum rule by distributing the excess sum of Born charges equally among the atoms. Sum rule: $\sum_{\alpha} Z^{*}{\alpha, i, j} = Z{\rm tot} \delta_{ij}$. Violation of the sum rule may be caused by inadequate spacing, box size (in finite directions), or k-point sampling (in periodic directions).

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