[Wannier] Wigner-Seitz Grid
Jonathan Yates
jonathan.yates at materials.ox.ac.uk
Sun Aug 17 15:26:29 CEST 2014
On 17 Aug 2014, at 03:25, Zikui Liu <zikuiliu at gmail.com> wrote:
> Dear All,
>
> I have some quick question:
>
> 1. what is "wigner-seitz grid" in wannier90?
>
> 2. what is its physical importance?
>
> 3. what is its use in a seedname_hr.dat file?
I think you need to read up on some of the theoretical background regarding “wannier interpolation”
see section III.F of
http://journals.aps.org/prb/abstract/10.1103/PhysRevB.65.035109
and
http://journals.aps.org/prb/abstract/10.1103/PhysRevB.75.195121
Jonathan
--
Department of Materials, University of Oxford, Parks Road, Oxford, OX1 3PH, UK
tel: +44 (0)1865 612797 http://users.ox.ac.uk/~oums0549/
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