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Fix supercell-related bug in Mulliken overlaps

Alberto Garcia requested to merge garalb/siesta:backport-mulliken-fixes-0cd905ea3 into rel-5.0

Fix supercell-related bug in Mulliken overlaps

When an auxiliary supercell was used, the 'column' in the DM data structure was not correctly mapped to the unit cell.

This fix corrects both the 'orbital-based' and the 'atom-based' overlaps that are computed when write-mulliken-pop is 2 or 3. Diagonal overlap values are now consistent with the corresponding populations.

(cherry-picked (+conflict fix) from commit 0cd905ea)

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