[Pw_forum] (no subject)

[Giovanni Cantele]

there are online crystallographic resources to get coordinates of k-points (take care of units!), for example:
http://www.cryst.ehu.es/cgi-bin/cryst/programs/nph-kv-list?gnum=18

QE is also able (as far as I remember not for all lattices, but the Bi2Se3 trigonal lattice is included!) to recognise
directly labels of special points in the BZ, but for this you should carefully read the guide Doc/brillouin_zones.pdf

Which points to select are easily found in published papers on the same material.

Giovanni


> On 19 Mar 2016, at 12:44, Abdullahi Lawal <abdullahikubau at yahoo.com> wrote:
> 
> Hello quantum espresso user
> Somebody should help me on how to gets kpoints for band structure of Bi2Se3.
> Abdullahi Lawal
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