[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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