[Pw_forum] k-point-path

[Nandan Tandon]

Alternatively, you could use the
website:http://www.cryst.ehu.es/cryst/get_kvec.html
to get the coordinates of the high symmetry k-points.

Regards,

Nandan.

On Thu, Jun 21, 2012 at 6:31 AM, DENIS MAGERO <magerode at gmail.com> wrote:
> Hallo payam. Im not sure whether I understood your question correctly
> but incase you need the k point path for high symmetry points this is
> what you should do;
> Check on any paper that has dealt with your material and you can get
> the points of high symmetry from there, probably the band structure
> will give you the high symmetry points.
> Xcrysden your structure and then at the top of your window select k
> point path generation. You will have a window in which you can input
> the high symmetry points you got from the paper by highlighting on the
> structure you will have. When you are done, press done and select the
> number of points you want generated. You can then save the points as
> name.kpoint path.
> About a tutorial, im not very sure, but there maybe.
> If you need more clariffication jst email me.
>
> On 21/06/2012, Payam Norouzzadeh <payam.norouzzadeh at gmail.com> wrote:
>> Dear QE users
>> I'd like to provide a list of proper k-points for my structure. How can I
>> generate them and what are the proper lines (or high symmetry points) in
>> BZ?
>> Is there any tutorial or example to learn it?
>> Best regards,Payam Norouzzadeh
>>
>
>
> --
> Dennis Magero,
> M.Sc Student,
> Computational group,
> Chepkoilel University College, ELDORET
> KENYA.
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-- 
***********************************************************************************************
Nandan Tandon
Department of Physics,
Worcester Polytechnic Institute,
100 Institute Road,
Worcester, MA
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