how to combine PBE+U and GW approximation (G0W0)

[alekos]

Hello,

I am trying to perform G0W0@PBE+U calculations. In order to do these I am including the LDA+U keyword in the INCAR file for the GW calculation. I am not sure if this is the correct approach beacuse I get the following error:

LDA+U in combination with GW calculations causes a double
counting of unidentifiable many-body perturbation terms.


I performed the same calculations by omitting the above mentioned keywords and I obtained an OUTCAR file without errors and I got different values compare to those obtained with the first approach.

So, should I put the LDA+U keywords?

[merzuk.kaltak]

Following the advice of the authors of this paper, we have added this Warning.