[Pw_forum] k-point grids...and all that

[Deyu Lu]

>Finally, on the point of mesh visualization.  I use XCrySDen a lot,
>especially for BZ and charge-potential visualizations.  But I don't know how
>to configure or generate a .xsf file for a 3D mesh of discrete points.

W.r.t. visualization of k-points, if the coordinates of k-points and the boundary
of the BZ are known, they can be visualized in VMD with the .xyz file format.
Below is an example of the 10 fcc special k-points (blue spheres) in the 
irreducible wedge (white spheres).

http://picasaweb.google.com/deyu.lu/Misc#5257056499972518002

Best
Deyu Lu


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Deyu Lu (Ph.D)
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