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Future Releases / Re: Dielectric Constant with Local Field Effect
« on: December 12, 2023, 11:05 »
Dear Sukito,
that is a good question and we have considered it. The problem is that the GW implementation we have right now works from imaginary time to imaginary frequency. So we have the full dielectric constant with local field effects, but it is in on the imaginary frequency axis, and not on the real one, which is probably what you are interested in. We have experimented a bit with analytically continuing the so obtained dielectric constant to the real axis but the results were not that good. We might revisit this in the future though.
We are currently in the process of improving our OpticalSpectrum with some parts of the GW code to make it more correct when running with non-local hybrid functionals like HSE06. This update should be in the next release W-2024.09.
Kind regards,
Brecht
that is a good question and we have considered it. The problem is that the GW implementation we have right now works from imaginary time to imaginary frequency. So we have the full dielectric constant with local field effects, but it is in on the imaginary frequency axis, and not on the real one, which is probably what you are interested in. We have experimented a bit with analytically continuing the so obtained dielectric constant to the real axis but the results were not that good. We might revisit this in the future though.
We are currently in the process of improving our OpticalSpectrum with some parts of the GW code to make it more correct when running with non-local hybrid functionals like HSE06. This update should be in the next release W-2024.09.
Kind regards,
Brecht