[Wien] confusion regarding band structure of Graphene

[shamik chakrabarti]

The structure of monolayer Graphenbe as I have used is attached for your
reference.

On Thu, 29 Dec 2022 at 18:32, shamik chakrabarti <shamik15041981 at gmail.com>
wrote:

> Dear Wien2k users,
>
>                         I have simulated a structure of Graphene monolayer
> with primitive cell. I am getting DOS & voltage accurately. However, while
> plotting band structure I am facing a problem. In hexagonal Graphene the
> band structure can be obtained with Gamma-M-K-Gamma, where K is the dirac
> point. However, in my primitive cell I am getting a Brillouin Zone of
> reciprocal lattice & not able to detect the Dirac point.
>
> The purpose of taking a primitive cell of monolayer Graphene lies on the
> fact that I need control over all the C atoms.
>
> Looking forward to hearing from you.
>
> --
> Dr. Shamik Chakrabarti
> Research Fellow
> Department of Physics
> Indian Institute of Technology Patna
> Bihta-801103
> Patna
> Bihar, India
>


-- 
Dr. Shamik Chakrabarti
Research Fellow
Department of Physics
Indian Institute of Technology Patna
Bihta-801103
Patna
Bihar, India
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