Yambo Community Forum

Dear developers

I have a question on a hybrid functional implemented in QuantumEspresso, the GAU-PBE.
My questions are:

1) Is it possible to use GAU-PBE in QuantumEspresso with yambo?

2) Does the GW subtract correctly the V_xc contribution of the GAU-PBE functional?

best
javad

Dear Javad,

yes it is possibile to use it and the V_xc contribution is correctly removed.

As you can see in the FAQ:
http://www.yambo-code.org/faq/

some precautions are needed:
in QE for gau-pbe exxdiv_treatment should be set to “none”.
in Yambo it is recommended the set the covariant algorithm for the calculations of the dipoles (DipApproach= “covariant”).

Best,
Daniele