[Pw_forum] quaetions about phonon calculation

Paolo Giannozzi giannozz at nest.sns.it
Tue Dec 7 10:14:47 CET 2004

On Sunday 05 December 2004 03:51, Shaorui Sun wrote:

> When I calculate the phonon of ZnO with hexagonal structure,
> the gamma point is done sucessfully. But for other points, such
> as (0.1, 0, 0),

...you need to perform a non self-consistent calculation first.
See the documentation and the examples

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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