QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: Nayab Shiraz on May 7, 2020, 01:15

Title: q dependent dielectric function
Post by: Nayab Shiraz on May 7, 2020, 01:15

Hi is it possible to calculate q dependent dielectric function in quantum ATK as done in the paper
"Ab initio study of the dielectric response of crystalline ropes of metallic single-walled carbonnanotubes: Tube-diameter and helicity effects"?
They use Time dependent DFT. If I calculate optical spectrum in quantum ATK, is q value 0 by default?

Title: Re: q dependent dielectric function
Post by: Nayab Shiraz on May 8, 2020, 18:54

Can someone please help me on this?

Title: Re: q dependent dielectric function
Post by: Petr Khomyakov on May 9, 2020, 22:58

The Optical spectrum analysis object does not allow for calculating the q-dependent dielectric function.