[Wannier] Overlap matrix of a 3D crystal on the Kx-Ky plane

[Robert Peyton Cline]

Dear Ali,

There may be a better way than what I'm about to say, but the first thing I
would try is to simply set the k-point sampling to 1 in the Kz direction
and then calculate your Mmn overlaps.  You can shift the Kz k-point to any
value you wish and perform multiple calculations if you want different 2D
slices parallel to the Kx-Ky plane of this 3D Brillouin zone.

Hope that helps,
Peyton Cline

On Thu, Jul 18, 2019 at 7:18 AM Ali Dehghan <aldehghan at shirazu.ac.ir> wrote:

> Dear Wannier90 developers,
>
> For a part of my work, I need to calculate the overlap matrices (Mmn) of
> a 3D crystal, but I have to compute these separately on any closed 2D
> manifold lying in the 3D BZ. For example, I want to calculate Mmn on the K
> x-Ky plane lying at some Kz. To do this, the K and b vectors must be
> changed only on the Kx-Ky plane. My question is that how can I explicitly
> specify this constraint?
> Using the user guide, I tried to prepare the input files. Please find the
> attached these files and let's me know your comments.
>
>
> I would appreciate your prompt response.
>
> Sincerely yours,
>
> Ali Dehghan,
> Shiraz university, Iran.
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