[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/




More information about the Wannier mailing list