[Pw_forum] Phonon DOS Calculation

[Eyvaz Isaev]

Hi, 

It is so simple. Just add  

dos=.true. 
nk1=N1,nk2=N2, nk3=N3 
fldos='name_of_DOS_file'

in addition to those you used for frequency
calculation for a given set of q-points in your matdyn
files. 
See /pwtools/matdyn.f90 file for more complete
information. Sure,  force constants will be calculated
before.

Bests,
Eyvaz.

--- Aritz Leonardo <swblelia at sw.ehu.es> wrote:

> Hello:
> 
> I would like to know if it is possible to calculate
> Phonon density of 
> states with PWscf.And if so, what to do.
> 
> Thanks
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> Pw_forum at pwscf.org
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> 


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