Yambo Community Forum

Dear All
I want to investigate different functionals as a starting point of GW calculation like GW@HSE, GW@GGA+U and GW@PBE0 . At first, I took HSE within espresso , but unfortunately, nscf calculation is not implemented in the espresso for hybrid functionals . Is it possible to do GW calculation without nscf just by regarding scf ? Is there any tricky way to solve the problem?
May I use the list of definite k-point in scf and then ignore the nscf calculation and then do GW?

I appreciate any help.

Ali Kazempour, Physics dept. PNU University, Tehran, IRAN

You could use a scf PW run but, at the moment, the GPL version of Yambo cannot handle non-local DFT functionals. You douls still do it but to get the final QP corrections you should remove DFT contribution.

We will release a new version of the code in a few months that include support for semi-local functionals. Hybrids are not implemented.

Andrea