[Pw_forum] Difference in band lines.

[Nadeem Natt]

Dear N. Hasan
pw.x input describes all flags, so you can refer to the link below to
understand differences between Crysta_b and Tpiba_b.

http://www.quantum-espresso.org/wp-content/uploads/Doc/INPUT_PW.html#idm140629871987664

Briefly Tipba_b defines K points in units of 2 pi/a while Crystal_b uses
crystal coordinates to define them so actually K_points are not exactly the
same.

For 2nd Question use xcrysden package to plot K_points in irreducible
brillouin zone (IBZ).

Best


On 27 July 2017 at 23:46, Naseem Hassan <raheskoon at gmail.com> wrote:

> Dear Users !
>
> I calculated band strcutre of graphene using K-point path in Crystal_b and
> tpiba_b format. I see some slight different in the structure of bands. All
> other parameters/inputs are same.
>
> Why is there such a difference ?
>
> Second additional question please. After ploting band structure I need to
> draw symmetry lines. How will I draw such lines ?
>
> Thanks you for you attention !
>
> N. Hasan
> UNIST South Korea.
>
>
>
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-- 

*Muhammad Nadeem*

*Graduate Student*

*Department of Physics Sungkyunkwan University, Suwon*
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