[Wannier] Dipoles for partially occupied bands
conn.orourke at yahoo.co.uk
Fri Dec 14 13:55:31 CET 2018
I have previously used wannier90 to get Wannier centres, and thereby atomic dipoles, for insulating systems by excluding unoccupied bands.
I am wondering if it is possible to do the same in the case of metals, with partially occupied bands? And if so how?
Any guidance would be appreciated.
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