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. > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum -- *********************************************************************************************** Nandan Tandon Department of Physics, Worcester Polytechnic Institute, 100 Institute Road, Worcester, MA *************************************************************************************************
