[Pw_forum] Example07

[Paul M. Grant]

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

 

 

 

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