[Pw_forum] Is there any way to perform phonon calculation depending on temperature?

Lorenzo Paulatto lorenzo.paulatto at impmc.upmc.fr
Sun Sep 20 13:31:39 CEST 2015


Dear Bahadir,
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.

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 DOS)
> depending on temperature? Is it possible to make it with QHA? If so, How
> Can I calculate ?
> 
> Thanks
> Best Regards





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