[Wannier] Interpolation of u_nk unto a generic k-point

[Nicola Marzari]

Well, I guess you never (?) need the u_nk, but expectation values
calculated on them - be it the energy or other quantities. What would
you need an arbitrary u_nk for?

			nicola


On 06/04/2017 23:41, Vahid Askarpour wrote:
> Dear Wannier Community,
>
> The geninterp routine interpolates the energies for a generic k-point.
> Is it possible for Wannier90 to interpolate the u_nk (periodic part of
> the Bloch states) from a regular coarse grid defined in the non
> self-consistent calculation unto a generic k-point?
>
> If not, where would be the best place in the code to implement such a
> calculation?
>
> Thank you,
>
> Vahid
>
> Vahid Askarpour
> Department of Physics and Atmospheric Science
> Dalhousie University,
> Halifax, NS, Canada
>
>
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-- 
----------------------------------------------------------------------
Prof Nicola Marzari, Chair of Theory and Simulation of Materials, EPFL
Director, National Centre for Competence in Research NCCR MARVEL, EPFL
http://theossrv1.epfl.ch/Main/Contact http://nccr-marvel.ch/en/project