[Pw_forum] Difference in band lines.

Nadeem Natt nadeemnatt1 at gmail.com
Thu Jul 27 20:34:16 CEST 2017

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.


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

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


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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