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ENH: Eigenvalues/occupations property

username-removed-71312 requested to merge eigenvalues-occupations-property into master

Implement "eigenvalues" and "occupations" as properties on several electronic structure calculators.

calc.eigenvalues or calc.occupations will return an array of shape (nspins, nkpts, nbands) for ELK, Octopus and NWchem.

Fixed error in NWChem calculator that prevented reading energies/occupations.

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