[Pw_forum] Phonon_quarry
Paolo Giannozzi
giannozz at democritos.it
Fri May 7 19:07:55 CEST 2010
partha sarathi ghosh wrote:
> How to calculate phonon dispersion curve using ph.x that I know
> but I want to displace a particular atom in a particular direction
> with adjustable displacement.
doesn't make sense to me. There is no "real" dispacement in the
phonon code (unlike in "frozen phonon" method): the linear response
to a displacement is calculated instead
P.
--
Paolo Giannozzi, Democritos and University of Udine, Italy
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