Dear Professor Baroni Sorry if my question is so trivial. I think Reciprocal space is Fourier transform of the real space so as theIFCs. When we calculate Harmonic IFCs there is a command called q2r.x which converts reciprocal space IFCs to real space by taking Fourier Transform . But in the case of harmonic IFCs this is not the case. For my work i need an-harmonic IFCs in real space that whys i wanted to know whether Quantum espresso calculates those in real space or reciprocal space.
Thanks a lot for your response Regards Tribhuwan On Tue, Jan 31, 2012 at 7:02 AM, Stefano Baroni <baroni at sissa.it> wrote: I beg your pardon? What is the difference between a "real-space" and a "reciprocal-space" lifetime? SB -- Stefano Baroni, Trieste -- swift message written and sent on the go On 30/gen/2012, at 16:06, Tribhuwan Pandey <tribhuwan.physics at gmail.com> wrote: > Hi all, > I am calculating phonon life time using D3 code.So i want to know > that whether those life time are in reciprocal space or in real space. > > > > any help in this regard will be appreciated > > > > -- > > Best > Tribhuwan > IISC > > > With Regards > Tribhuwan Pandey > Research Scholar > Indian Institute of Science, Bangalore, India > > > > > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum -- With Regards Tribhuwan Pandey Research Scholar Indian Institute of Science, Bangalore, India -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20120131/8bc99862/attachment.htm
