Hi,
--- On Sun, 8/9/09, xirainbow <nkxirainbow at gmail.com> wrote:
> ?as for my third question : the attached picture can
> explain.
> ?
> It seems that?QE does not arrange phonon eigenvalue according to their
> symmetry. You can deal with it by hand. For example, you can
> re-draw the picture in origin or gunplot:)
QE makes a good job and discontiniuties in the figure can be avoided using more
q-points (as it was pointed out in my previous e-mail). I do not think origin
or gnuplot will help without extra effort. Even using option "smooth" in
gnuplot may give worse result.
Bests,
Eyvaz.
-------------------------------------------------------------------
Prof. Eyvaz Isaev,
Theoretical Physics Department, Moscow State Institute of Steel & Alloys,
Russia,
Department of Physics, Chemistry, and Biology (IFM), Linkoping University,
Sweden
Condensed Matter Theory Group, Uppsala University, Sweden
Eyvaz.Isaev at fysik.uu.se, isaev at ifm.liu.se, eyvaz_isaev at yahoo.com
