[Pw_forum] different frequencies within the same q star

[Paolo Giannozzi]

On Friday 07 January 2005 04:02, W. YU wrote:

> I calculated the phonon mode for a simple cubic system
> Cu3N at X point, the frequencies are as follows for
> different q within the same q star. The difference is
> relatively small, less than 0.6cm-1 for different q in
> the same q star. In this case, can I safely say the
> three q point give equivalent results?

I would say so. The results should be exactly the same,
but there is always some numerical noise.

P.

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Paolo Giannozzi             e-mail:  giannozz at nest.sns.it
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