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/)

Responder a