[Pw_forum] Negative phonon frequency

Duy Le ttduyle at gmail.com
Wed May 11 16:25:38 CEST 2011

Did you optimize WELL the structure of SrFeO?
Duy Le
PhD Student
Department of Physics
University of Central Florida.

"Men don't need hand to do things"

On Wed, May 11, 2011 at 5:48 AM, mayank gupta <mayankaditya at gmail.com> wrote:
> Hi Dear User's
> I am trying to calculate the phonon frequency of SrFeO compund, but I
> got negative frequancies at gamma also at other Q points, while I have
> chossen very high cutoff (ecut=100Ry and ecut_rho=1000), while
> experimentally the structure is stable at room temperature even up to
> very low temperature. what could be the possible reason for such
> negative frequecies.
> --
> Mayank
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