[Pw_forum] k-point-path

[DENIS MAGERO]

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.