On Jul 15, 2009, at 7:10 AM, E. Hallynck wrote:
So it's basically the same structure as in the tutorial, yet I get different results (with a difference in frequencies up to 0.002). My question of course: where does this difference come from? And if both structures really should produce the same results, which one is right? :-)
If the difference is that small (< 1%), then probably it is a finite- resolution error (in both results), and the two results will converge to one another as you increase the resolution.
Steven _______________________________________________ mpb-discuss mailing list [email protected] http://ab-initio.mit.edu/cgi-bin/mailman/listinfo/mpb-discuss
