[Pw_forum] inqure about the theory of infrared spectrum calculation
Paolo Giannozzi
giannozz at democritos.it
Mon Dec 21 14:51:50 CET 2009
xu yuehua wrote:
> and is that theory used in PWSCF code?
http://www.springer.com/physics/book/978-1-4020-3287-5
go to 'Sample pages', download the file. It contains a brief
introduction to density-fgunctional perturbation theory,
including some essential info on how to calculate IR cross
sections
P.
--
Paolo Giannozzi, Democritos and University of Udine, Italy
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