[Pw_forum] phonon calculations in a spercell of 100 atoms

[Lorenzo Paulatto]

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 & Université Paris 6
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