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 !!!! > > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://pwscf.org/mailman/listinfo/pw_forum -- ---------------------------------------------------------------------- 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 ----------------------------------------------------------------------
