QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: debjani on July 18, 2019, 08:35

Title: intraband calculations in metals
Post by: debjani on July 18, 2019, 08:35

Is there any way to incorporate the intraband Drude-like term in optical spectrum computation?  ATK does it via Kubo-Greenwood formula, where there should be one (-1/w^2) divergence at zero energy for real part of epsilon. I have tested it for all sorts of broadenings for simple metals like Au or Ag. However, the zero energy negative divergence is not produced. Can anybody help?

Title: Re: intraband calculations in metals
Post by: Anders Blom on July 26, 2019, 13:56

As far as I can tell this is not included in QuantumATK, but it's a very nice idea that we will look into adding in the future.

Title: Re: intraband calculations in metals
Post by: Anders Blom on November 12, 2019, 19:28

This is planned for inclusion in the 2019.12 release in December