[Pw_forum] About eigenvector of phonon

Paolo Giannozzi 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 
Piazza dei Cavalieri 7      I-56126 Pisa, Italy

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