[Pw_forum] negative frequency in high q-mesh

[Wei-Bing Zhang]

Dear Dr. Suza W

Thanks a lot. Good points. I will try.

Wei-Bing Zhang

On 31 January 2013 20:28, Suza W <suza.rri at gmail.com> wrote:
> Dear Dr. Wei-Bing Zhang,
>
> The curves show unstable phonon at and near q = 0.19 .
> You can compute phonon explicitly at q = 0.19 using QE
> by giving one q point specifically instead of computing nq = NxNxN .
> This will avoid any artifact which may arise from the interpolation method
> used.
> After all careful checking, if you find that the phonon is indeed imaginary,
> then
> the comment of Prof. Paolo Giannozzi is correct. No one can be sure
> that  silicene is mechanically stable, unless there is any experimental
> proof.
>
> Cheers !!!!
>
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Dr. Wei-Bing Zhang

School of Physics and Electronic Sciences
Changsha University of Science and Technology,
Changsha,  People’s Republic of China
Phone : +86 186 73108538
E-mail: zwb256 at hotmail.com, weibingzhangavh at gmail.com
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