Yambo Community Forum

Dear Sir,

I am doing GGA+U calculations using Quantum Espresso. And then, I use GGA+U method's band structure as an input for the BSE step. I am wondering if GGA+U method used Quantum Espresso can be provided for starting point of Yambo GW and BSE steps.

Waiting for your reply.
Thank you!

Best,
Linda

Dear Linda,
please sign your post with your name and affiliation, this is a rule of the forum and you can set it once for all in your user profile.
It is possible to perform BSE in top of DFT+U, while GW correction it is not implemented:
you can have a look at this post:
viewtopic.php?f=14&t=1423

The only drawback is that the commutator of the position operator with the U non-local term it is not taken into account in the calculations of the dipoles, unless you use the covariant implementation.

Best,
Daniele

Dear Daniele,

Thank you for your prompt reply!
I am sorry for failing to sign my post with my name and affiliation.

Best,
Linda

Linda,Wu
PhD student
Department of Physics of Tsinghua university, Beijing