Yambo Community Forum

Hi,

I have a question regarding the calculation of the dielectric function for metals.

For metals, the intraband contribution is crucial for describing the dielectric function. However, this contribution is not explicitly included in Yambo at (q = 0), whereas it is included at any finite (q).

I understand that when running IP-RPA calculations in Yambo, we need to provide (omega_p) and (gamma), which are used in the Drude model. The equation has the following form:

Epslion_drude = 1- (w_p)^2/(w^2 + i*w*gamma).

My question is: when presenting the general equation for readers who want to calculate the dielectric function of a metal from first principles, what should be the final form of the dielectric function?

Is it simply the sum of the IP-RPA dielectric function from linear response theory, as shown in the Yambo cheatsheet(https://wiki.yambo-code.eu/wiki/index.p ... 5.0_P5.png), and the Drude contribution? In other words, should the final expression be written as:

Epsilon_metal = Epsilon_IP_RPA + Epslion_drude

Does Yambo treat the problem in this way? At very low energies, drude contribution dominates, while at higher energies, the IP-RPA contribution becomes more important.

Thank you.

Best regards
M J Hasan, PhD Candidate, Mechanical Engineering
University of Maine

Dear M J Hasan,

yes, only at q=0, in the code a drude term is added

Epsilon_metal = Epsilon_IP_RPA + Epslion_drude

This is the source file which computes the drude term: https://github.com/yambo-code/yambo/blo ... /X_drude.F

Best,
D.