[Pw_forum] phonon partial density

[Sanjeev Gupta]

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?
>
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>


-- 
*Dr. Sanjeev Kumar Gupta*
*Post Doctoral Fellow,

Department of Physics,
Bhavnagar University, Bhavnagar-364 022
Gujarat, India*
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