I read in the forum that GW on top of DFT+U is not implemented in yambo. I have a number of questions in this regard:
1) For systems containing d electrons such as nickel, are the results acceptable if I perform calculations of optical and magneto-optical properties by GW on top of DFT (without U)?
2) I found a paper, in which GW had been done on top of DFT + U using BerkeleyGW, but this point had been also mentioned:
Is it possible to run GW on top of DFT+U in Yambo using this method?In our G0W0 calculations, we will treat on the same footing the Hubbard potential (Vhub) and the LSDA exchange-correlation potential V LSDA (xc) . That is, the self-energy correction is given by:
ΔΣ = Σ − V LSDA(xc) − V(hub) ,
where Σ is the conventional self-energy operator in the GW approximation. In this way, the Hubbard potential, together with the LSDA exchange-correlation potential, have been subtracted from the quasiparticle energies corrections to avoid the double-counting issue
Best,
Mitra Helmi