[Pw_forum] Phonon frequencies different for equivalent q points

Paolo Giannozzi giannozz at nest.sns.it
Wed Apr 26 18:04:14 CEST 2006

On Tuesday 11 April 2006 20:45, stewart at cnf.cornell.edu wrote:

> I am looking at the high symmetry lines, Gamma-K-M along the [x,x,0]
> direction going from [0,0,0] to [1,1,0]*(2pi/a) and the Gamma-M line
> along the [x,0,0] going from [0,0,0] to [1/sqrt(3),0,0]*(2pi/a).

are you sure these are the correct high-symmetry lines? please note
that phonon wavevectors must be supplied in cartesian coordinates

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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