On Mon, 13 Feb 2012 17:24:50 +0100, Elie M <elie.moujaes at hotmail.co.uk> wrote: > Thanks for your reply. Any reference to the finite displacement method > for phonon calculations using QE?
None that I know, but it is relatively straightforward. The first result I got googling "real space force constant" is <http://www.castep.org/CASTEP_talks_07/refson3.pdf>, check page 5. bests -- Lorenzo Paulatto IdR @ IMPMC/CNRS & Universit? Paris 6 phone: +33 (0)1 44275 084 / skype: paulatz www: http://www-int.impmc.upmc.fr/~paulatto/ mail: 23-24/4?16 Bo?te courrier 115, 4 place Jussieu 75252 Paris C?dex 05
