GW+U

[samaneh]

Dear Developers,
1-Is that possible to perform GW calculation with yambo,
using the results of GGA+U calculation of espresso ?
2- If the PBE functional could not indicate the midgap states
(localized states of doped structure) in dos or bandstructure,
is it possible that GW calculation present them,
or can we observe these localized states in midgap??
Thanks
S. Ataei, University of Tehran, Iran

[Daniele Varsano]

Dear S. Atei,
actually it is not possible to do this kind of calculations.
Best,
Daniele

[samaneh]

Dear Daniele,
Thanks for your reply.
But what about the second question??

[Daniele Varsano]

Dear Samaneh,
your second question it is not a question related to the code, and I suggest you to discuss with your colleagues and advisors.
My suggestion anyway is always to have in mind that GW approximation is not a magic wand and especially it is a perturbation theory, so if your starting point (ground state) is far away from the right description, it hardly can gives you the right answer. But, again, I'm not familiar with the topic you are studying so take my advice as a general consideration and discuss it with your coworkers.

Best,
Daniele