[Pw_forum] Is there any way to perform phonon calculation depending on temperature?
lorenzo.paulatto at impmc.upmc.fr
Sun Sep 20 13:31:39 CEST 2015
in first approximation, phonon dispersion does not depend on the temperature,
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.
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 DOS)
> depending on temperature? Is it possible to make it with QHA? If so, How
> Can I calculate ?
> Best Regards
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