Yambo Community Forum

Dear board members,

I would like to perform a GW calculation in which the polarizability and Greens function is constructed from Hartree-Fock eigenvalues instead of the default DFT ones. From the manual I see that the variables QPdb are designed for this issue. The question is now how to create the corresponding database for HF. Running 'yambo -x' creates 'db.HF_and_locXC' which is probably not the right database to go with the variable QPdb. Is there a trick to turn off the screening in a G0W0 run (=G0V) and produce a 'qp.db' with HF eigenvalues?

Best Thomas

(P.S. To run full QP corrections for all bands would be too costly in my case)

Dear Thomas,
I'm afraid you need to hack the code in order to skip the calculation of the correlation
part of the self-energy and maintain the exchange part only to be written in the QP database
(is this what you want to do, right?).
Why not to try to perform COHSEX calculation, i.e. a static GW approximation? Even if dynamical effects
are neglected, at least some correlations is included in the correction. I do not know the size of your system,
so may it is not possible however, It is much less costly than the full GW.

Regards,

Daniele