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Draft: Wannier bands

JakobKSvaneborg requested to merge wannier_bands into master

This MR allows the user more freedom to specify the 'fixed window' in the Wannier module. The fixed window may be specified either by a (contiguous) set of bands, by an energy range, or in the old way.

This allows one to describe even large systems with only a few Wannier functions if one is only interested in a smaller subset of bands. In many applications, one is primarily interested in a small set of bands e.g. near the Fermi level. In the current implementation, however, all bands below a user-defined energy threshold must be included in the 'fixed window' part of the Wannierization procedure. This includes all semi-core states, which one typically is not interested in.

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Edited by JakobKSvaneborg

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