Optical properties using hybrid functional with SOC approach

[sdeepmanav]

Dear Users and Developers,

Is it possible to calculate the dielectric tensor using the hybrid functional within the SOC? How can we make such calculations efficient in terms of computation?

Thanks and regards

Sandeep

[martin.schlipf]

You can calculate the static dielectric tensor using finite differences. The relevant tags are LCALCEPS and LPEAD.

Essentially then you are doing hybrid functional calculations and you can use any setup that works well for hybrid functionals to calculate it.