[Wien] Can it take the thermal effects into account?

[Stefaan Cottenier]

About the first part of your question: partly yes, by calculating 
phonons and using thermodynamics. See for instance PRB 70 (2004) 104109, 
where a phase transition as function of temperature (!) and/or pressure 
is calculated. (the ab initio code used there is VASP, but the relevant 
PHONON code can be used with WIEN2k as well -- see the section on PHONON 
in the usersguide).

Stefaan


>Dear Wien users,
>Hello. I wanted to know:
>1.If it is possible to take into account the temperature effects in
>the calculations?
>2.Is Wien2k capable of calculating the Magnon-Phonon interactions?
>
>Thank you!
>abedi526 at gmail.com
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