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GenerateSupercell for the dynamical matrix fix #103

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Now, the supercell dynamical matrix also exports the effective charges and dielectric tensor.
Also, the argument with the supercell size become superfluous (but we keep it for back compatibility).

@mesonepigreco mesonepigreco added this to the 1.5 milestone Nov 2, 2024
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To be checked the ASR on the effective charges before and after the transformation.

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