I see, thank you Stefano.
> -----Original Messages----- > From: "stefano de gironcoli" <degironc at sissa.it> > Sent Time: Tuesday, September 24, 2013 > To: "PWSCF Forum" <pw_forum at pwscf.org> > Cc: > Subject: Re: [Pw_forum] Can I use resluts of gamma point to calculate the > phonon dispersion curve? > > in order to generate interatomic force constants that then give you > phonon dispersions you need to compute dynamical matrices for a grid of > q points (1d grid in your case i would say). gamma is a point always > present in the grid so you can reuse its data. > how many additional points you need to add depends on how far the > interatomic force constants extend and how large is your system. > for large systems even just gamma might be enough (need to be tested) > stefano > > On 09/24/2013 03:19 AM, Peng Tao wrote: > > Dear all, > > > > I have calculated the phonon frequencies of gamma point before, and now I'm > > planning to > > calculate its phonon dispersion curve. Can I use the results of gamma > > point? If not, phonon > > of the gamma point needs to be recalculated, which is really a waste of > > time. > > > > My system is quite large and one-dimensional, so the gamma point is > > exclusively important. > > If it is possible to make use of previous results, plenty of time will be > > saved. > > > > Thank you very much! > > > > > > Warmest regards, > > Peng Tao > > > > > > > > -- > > ------------------------------------------------------------------- > > PH.D. candidate Peng Tao > > Magnetism and Magnetic Materials Division > > National Laboratory for Material Science > > Institute of Metal Research, Chinese Academy of Sciences > > Phone +86-024-83978751 > > ------------------------------------------------------------------- > > > > > > > > _______________________________________________ > > Pw_forum mailing list > > Pw_forum at pwscf.org > > http://pwscf.org/mailman/listinfo/pw_forum > > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://pwscf.org/mailman/listinfo/pw_forum -- ------------------------------------------------------------------- PH.D. candidate Peng Tao Magnetism and Magnetic Materials Division National Laboratory for Material Science Institute of Metal Research, Chinese Academy of Sciences Phone +86-024-83978751 -------------------------------------------------------------------