Please first provide your affiliation. The answer for your question is QHA, which is implemented in espresso. Read the manual, and see old post, which is very useful.
Regrads Sanjeev On Tue, Jul 5, 2011 at 7:42 AM, lucking-pine <songsong19840614 at gmail.com>wrote: > I want to calculate the phonon partial density.But the example of pwscf > have not it.And I also find the method after searching Pw_forum mailist from > google. > I know the phonon dos is matdyn.x: > &input > asr='simple', amass(1)=65.003, amass(3)=16.000 flfrc='ZnO.fc', > flfrq='ZnO,freq', dos=.true. > fldos='ZnOphonon.dos', nk1=6, nk2=6, nk3=6, ndos=50 > > So how could I calculate the pdos,using projwfc.x or matdyn.x? > > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum > > -- *Dr. Sanjeev Kumar Gupta* *Post Doctoral Fellow, Department of Physics, Bhavnagar University, Bhavnagar-364 022 Gujarat, India* -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20110705/6a7263d4/attachment.htm
