[Wien] K-points for Band structure

Alpa Dashora dashoralpa at gmail.com
Mon Jul 20 07:40:19 CEST 2015


Dear Paresh,

Save the xcrysden kpoint file as xcrysden.klist. Then in w2web, task
section, select band structure window. In the symmetry pop-up, select "from
xcrysden" after that follow the standard procedure as given in UG.

Best regards,

On Mon, Jul 20, 2015 at 10:57 AM, Paresh Chandra Rout <
pareshchandra at iiserb.ac.in> wrote:

> Dear all,
> I want to plot band structure for my system through some high symmetry
> kpoint path . I have generated the k-point mesh by taking the necessary
> symmetry points by using xcrysden . But I do not how to use these generayed
> points in wien2k for band structure calculation and the way to indicate
> high symmetry symmetry points along with the bands. Any help would be
> highly appreciated .
>
>
>
> Kind Regards
> Paresh Chandra Rout
> Research Scholar
> Indian Institute of Science Education and Research Bhopal
>
>
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-- 
Alpa Dashora
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