[Pw_forum] negative frequency in high q-mesh

Suza W suza.rri at gmail.com
Thu Jan 31 13:28:52 CET 2013

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
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

Cheers !!!!
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