[Pw_forum] Generalized "Linhard-Like" Dielectric Function

[Paul M. Grant]

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
naïve 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/> 
 
 


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