[Pw_forum] phonon dispersion from IFC

[Claudio Perottoni]

Hi,

I just finished a very lengthy calculation of the phonon dispersion 
spectrum for a 132-atom structure using DFPT and interatomic force 
constants. I wonder could the same IFCs be used to calculate the phonon 
spectrum for the same compound, now optimized at a different pressure, 
i.e., with different lattice parameters and atomic positions, without 
the need to perform the full calculation of phonons and dynamical 
matrices and generate new IFCs all over again ?

Thanks for your attention!

Regards,

Claudio

-- 
******************************************************************
Dr. Cláudio A. Perottoni

Universidade de Caxias do Sul
Centro de Ciências Exatas e Tecnologia
Rua Francisco Getúlio Vargas, 1130
95070-560 Caxias do Sul - RS - Brazil
Phone: +55 54 3218 2607
http://www.ucs.br/ccet/defq/caperott/
******************************************************************