The README file for example07 contains the rather cryptic remark that, ".the k-point grids used here are NOT dense enough for a serious calculation!". Yet the lambda that results ranges from 0.34 - 0.34 depending on broadening (the experimental value for lambda for Al is approximately 0.44). Not too bad. Increasing 16 16 16 and 8 8 8 to a 32 32 32 and a 16 16 16 MP grid, respectively, yields lambdas in the range 0.34 - 0.39. How big do I have to go? -Paul
Paul M. Grant, PhD Principal, W2AGZ Technologies Visiting Scholar, Applied Physics, Stanford University EPRI Science Fellow (Retired) IBM Research Staff Member Emeritus <mailto:w2agz at pacbell.net> w2agz at pacbell.net <http://www.w2agz.com/> http://www.w2agz.com -------------- next part -------------- An HTML attachment was scrubbed... URL: /pipermail/attachments/20070213/fd9a624f/attachment.htm
