I?m a frequent user of Andrea Banassi?s epsilon.x. However, the present version of the code addresses only epsilon(0, omega), whereas I need for a current project something like epsilon(q, omega + i eta). I?m in the process of recoding epsilon.f90 to accommodate q>0, but have noticed that the formalism (i.e. ?algebra?) is contained in Banassi?s thesis. So, has this recoding already been done by someone?
Footnote when the eigenstates of a particular system are ?localized,? e.g., a PWscf calculation of a ?monolayer? where the 3D plane wave representation includes a large-real-space ?unit cell? in the ?perpendicular? direction, my na?ve assumption is that some sort of modification to epsilon according to Clausius-Mossott is in order have others in the PWscf community encountered this issue? Paul M. Grant, PhD Physicist and Science Writer Principal, W2AGZ Technologies Visiting Scholar, Applied Physics, Stanford (2005-2008) EPRI Science Fellow (Retired) IBM Research Staff Member Emeritus w2agz at pacbell.net http://www.w2agz.com <http://www.w2agz.com/> -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20090831/c2841e3f/attachment.htm
