[Wannier] Wannier Digest, Vol 72, Issue 2
huanghq at phys.tsinghua.edu.cn
Sun Jan 12 14:57:53 CET 2014
>Dear Wannier users,
>I am studying electronic polarization using Wannier function centers. In the
>case of partially occupied bands entangled with empty bands, should i
>disentangle the partially filled bands from the empty bands and multiply the
>obtained Wannier function centers by 1 not by 2?
I think the electronic polarization is a concept for insulators. If there are
partially occupied bands, the system should be a metal according to band
If you want to get the Wannier function for entanled bands, you can
disentangle the bands with a proper energy window.
Group of Condensed Matter Theory
Department of Physics
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