[CP2K-user] [CP2K:17271] In ability to get the correct band structure of graphene

[Anjali ganai]

Dear All,

I tried finding the band structure of hexagonal boron nitride even but the
result does not match with what is expected. Any help is highly
appreciated. I can't find what else to change in the input file. Can
someone please suggest me something.

Input file and band structure are attached.

Regards,
Anjali

On Tue, Jul 5, 2022 at 12:50 PM Anjali ganai <jk831183 at gmail.com> wrote:

> Dear All,
>
> I have been trying to get the band structure of graphene. But the band
> structure doesn't look like a semimetal. I  tried with higher value of
> NPOINTS and changed the Kpoint girds even, but it was of no help. Can
> anyone please suggest me something.
>
> The input  file and the bandstructure have been attached.
>
>
> Regards,
> Anjali
>
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