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
Is Drude correction required in the IPA calculation for metals
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Is Drude correction required in the IPA calculation for metals
Dr. Zafer Kandemir
Postdoctoral Researcher (Theoretical Physicist)
Department of Mechanical Engineering, Eskisehir Technical University
26555 Tepebasi-ESKISEHIR/TURKEY
Postdoctoral Researcher (Theoretical Physicist)
Department of Mechanical Engineering, Eskisehir Technical University
26555 Tepebasi-ESKISEHIR/TURKEY
- Daniele Varsano
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Re: Is Drude correction required in the IPA calculation for metals
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
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
Dr. Daniele Varsano
S3-CNR Institute of Nanoscience and MaX Center, Italy
MaX - Materials design at the Exascale
http://www.nano.cnr.it
http://www.max-centre.eu/
S3-CNR Institute of Nanoscience and MaX Center, Italy
MaX - Materials design at the Exascale
http://www.nano.cnr.it
http://www.max-centre.eu/