[Pw_forum] About eigenvector of phonon
giannozz at nest.sns.it
Tue May 24 13:48:53 CEST 2005
On Tuesday 24 May 2005 08:03, zhanglijun wrote:
> How about q is not equal to 0?
> Is the program "dynmat.x" appropriate?
it might actually work for q!=0 as well (no warranty that it does).
Of course, you have to supply the dynamical matrix for the desired
q and not to impose acoustic sum rule.
Paolo Giannozzi e-mail: giannozz at nest.sns.it
Scuola Normale Superiore Phone: +39/050-509876, Fax:-563513
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