Page 1 of 1

Is Drude correction required in the IPA calculation for metals

Posted: Thu Dec 08, 2022 3:48 pm
by Zafer Kandemir
Dear Developers,

I calculated the optical spectrum of metallic systems with GW+IPA level. I got the k-grid value as 42x42x1. Is it necessary to use Drude correction in the IPA calculation to obtain intraband transitions? The calculated eps_2 (the imaginary part of the dielectric function) values below 1 eV are quite high. I couldn't be sure about that I should apply Drude correction.

Best regards.
Zafer

Re: Is Drude correction required in the IPA calculation for metals

Posted: Thu Dec 08, 2022 6:36 pm
by Daniele Varsano
Dear Zafer,
the q=0 limit for the intra-band transitions is missing and can be taken into account using a Drude model, such term is plugged to the non-interacting response function. This is a model and it is not calculated ab-initio and you need to provide as input parameter the Drude frequency and its damping.

Best,
Daniele