>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 *************************************************************************** Deyu Lu (Ph.D) 190 Chemistry Building University of California, Davis One Shields Avenue Davis, CA 95616 Office phone: (530) 754-9663 Group Webpage: http://angstrom.ucdavis.edu/ ***************************************************************************
