[Pw_forum] Regarding anharmonic IFCs
Lorenzo.Paulatto at impmc.upmc.fr
Tue May 8 12:10:43 CEST 2012
On Tue, 08 May 2012 08:07:56 +0200, david yang <dyang2103 at gmail.com> wrote:
> (1)--Whether my understanding is correct?
Cross check with my post of February:
> (2)--For my work i need anharmonic IFCs in real space means phi(0,l,l')
> I known that this can be done by taking inverse Fourier transform of
> phi(0,q',-q') , but i am clue less after this .
> Can anyone give me hint that how to proceed for inverse Fourier transform
Like in the q2r.x code (PH/q2r.f90) but with one more index
Lorenzo Paulatto IdR CNRS @ IMPMC/UPMC - Paris 6
phone: +33 (0)1 44275 084 / skype: paulatz
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