Dear Users, I am a tad confused about the calculation of the Force Constant (FC) matrix calculation in SIESTA. I would like to know why the FC matrix isn't computed for different q-points. Instead, a single FC matrix is computed. Wouldn't that affect the accuracy of the phonon spectra?
Thank you.
-- SIESTA is supported by the Spanish Research Agency (AEI) and by the European H2020 MaX Centre of Excellence (http://www.max-centre.eu/)