[Wannier] How could I use wannier90 for surface structure? Is there any research or examples?

[Christoph Wolf]

Hi Eric Seo,

There's a toolbox dedicated to such systems called "wannier tools", iirc
they have an example for a 2D system. You can also look for graphene
examples, as it is a true 2D system.

Wannierization can be more tricky as surface and bulk states will differ
but basically there's no problem. Check out R. Korytar et al., JPCM 2010.
It discusses Cu (111)

Best,
Chris

On Thu, Jan 24, 2019, 2:54 PM Seo, Seung-Woo <ironmask32 at gmail.com> wrote:

> Dear Wannier90 users and contributors,
>
> Could you let me know how to use wannier90 to surface, slab, and interface?
>
> I wonder even it is possible because the wannier function is based on
> bloch wave. I think it is gonna lose reliablity.
>
> Moreover, I tried to use wannier90 with vasp to fccCu 100 slab with 3
> layers but it does not work.
>
> There is no examples about surface, so, it is welcome to give me the
> information about the research and examples about surface structure using
> wannier90.
>
> Thank you very much!
>
> Best Regards,
>
> Eric
>
> --
> Seo, Seung-Woo
>
> Ph. D
>
> Research Staff Member
>
> Computer Aided Engineering group (CAE)
>
> Platform Technology Lab.
>
> Samsung Advanced Institute of Technology (SAIT)
>
> Samsung Electronics. Inc.
>
> +82-10-2487-1683
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