[Pw_forum] Is there any way to perform phonon calculation depending on temperature?
bsalmankurt at gmail.com
Sun Sep 20 14:23:22 CEST 2015
Thank you for valuable informations.
2015-09-20 14:31 GMT+03:00 Lorenzo Paulatto <lorenzo.paulatto at impmc.upmc.fr>
> Dear Bahadir,
> in first approximation, phonon dispersion does not depend on the
> only its occupation does. QHA means assuming that the phonon dispersion
> depends on the temperature only via the lattice expansion, if this
> approximation is acceptable for you, you can use QHA.
> kind regards
> On Sunday, September 20, 2015 01:35:10 PM Bahadır salmankurt wrote:
> > Dear All
> > Is there any way to perform phonon calculation (Phonon dispersion and
> > depending on temperature? Is it possible to make it with QHA? If so, How
> > Can I calculate ?
> > Thanks
> > Best Regards
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> Pw_forum at pwscf.org
Sakarya University, TURKEY
Ph.D. student of Physics
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