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 _______________________________________________ Pw_forum mailing list [email protected] http://pwscf.org/mailman/listinfo/pw_forum
