[Pw_forum] negative frequency in high q-mesh

Paolo Giannozzi giannozz at democritos.it
Thu Jan 31 10:03:35 CET 2013

On Thu, 2013-01-31 at 15:32 +0800, Wei-Bing Zhang wrote:

> Unfortunately, I can only get the reasonable phonon dispersion
> with q-mesh below 6x6x1

what makes you think that the results with denser q-mesh 
are unreasonable? Are you sure that silicene is mechanically
stable? if not, there can be phonons with negative (actually
imaginary) frequency

Paolo Giannozzi, IOM-Democritos and University of Udine, Italy

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