[Wien] Quasi-harmonic approximation (QHA)

[Gavin Abo]

If you mean the calculations that the extension software for WIEN2k of 
phonon [1] or phonopy [2,3][4], or Gibbs2 [5,6,7] do, then sure.

[1] http://www.computingformaterials.com/index.html
[2] https://atztogo.github.io/phonopy/wien2k.html
[3] https://atztogo.github.io/phonopy/qha.html
[4] 
http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg08235.html
[5] http://azufre.quimica.uniovi.es/software.html#gibbs2
[6] 
http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg12157.html
[7] 
http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg12884.html

On 3/13/2017 4:00 PM, Sherif Yehia wrote:
> Hello
>
> I would like to ask if wien2k can perform Quasi harmonic approximation
>
> Thanks all for the help
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