On Wed, 7 Mar 2007, leppert, jan wrote:
I calculated DoS for PCF with the dos.scm, but I think they are not accurate enough. On a post in May 2006 you wrote, that it is possible to calculate the DoS from the group-velocity and you reffered to an article, but I have no acces to it. It would be very helpfull if you could describe the procedure how to solve it.
The procedure is basically to divide k space into a grid, and within each pixel/voxel of that grid to make a linear approximation of the band diagram by using the group velocity. For more details, I have to refer you to the article I referenced.
Cordially, Steven G. Johnson _______________________________________________ mpb-discuss mailing list [email protected] http://ab-initio.mit.edu/cgi-bin/mailman/listinfo/mpb-discuss
