You need to incorporate the scf calculation with the linear response theory implemented in QE, specifically, I think you have to use the Phon after Scf, there are bunches of examples in QE document. For projected DOS, I think it is a little more complicated. The quasiharmonic approximation package is needed to analyze the weights of atoms in each mode, and I remember this package is not 100% correct, for many symmetries, the normalization is incorrect so you have to renormalize the result. I think this should be the correct path for you to get the answer, and you can definitely find examples in documentary.
Good luck, Tian On Sat, Dec 1, 2012 at 12:14 PM, Y. L. Li <ylli at theory.issp.ac.cn> wrote: > ** > Dear all, > > I read a PRB (PHYSICAL REVIEW B 86, 174304 (2012)) paper about topological > insulator. It discussed phonon property using QE code. There are two > figures in this paper, that is Figure 7 and Figure 10(Contour plots of the > phonon density of states projected onto the layers in BZ). It is similar as > electronic fat energy band. > > I do not know how to plot this type of figure, do you talk about it? > > Thanks a lot. > > Yanling Li > > Institute of solid state physics, China. > > > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://pwscf.org/mailman/listinfo/pw_forum > -- Lan, Tian Ph.D. Candidate, Department of Applied Physics and Materials Science California Institute of Technology, Caltech M/C 138-78, Pasadena, CA, 91125 -------------- next part -------------- An HTML attachment was scrubbed... URL: http://pwscf.org/pipermail/pw_forum/attachments/20121201/bb6e229c/attachment.html
