Dear developers,

I would like to perform a G0W0 calculation on top of HSE06 eigenvalues and eigenfunctions.

I've checked some old topics in this forum (e.g.viewtopic.php?f=14&t=421), in which it was written that the DFT contribution has to be removed manually.

What I understood is that only the local part of the DFT exchange-correlation potential is calculated in < nk | Vxc | nk > and the non-local one shouid be subtracted by hand. Is it still so in the latest version of Yambo?

In a more recent topic, viewtopic.php?f=10&t=1090&start=10, it is stated that the missing [x,V_xc(HSE)] term could induce a small but negligible error in the screening at q=0.

Therefore, if the error in the Σx and Σc due the [x,V_xc(HSE)] is negligible, the only possible source of error is eventually the non-local < nk | Vxc | nk > ?

I've already performed some tests and the effect of G0W0 is to overestimate a gap that is already close to the experiment at the DFT-HSE level.

Thank you in advance.

Best,

Matteo