Yambo Community Forum

Dear all,
Can Yambo consider the self-energy interaction of off-diagonal matrix elements between the bands during the GW calculation?

Thanks,

Dear Quxiao,

a full self-consistent calculation ie considering off diagonal elements of the self-energy can be done at COHSEX level using the yambo_sc executable.

Best,
Daniele

Daniele Varsano wrote: ↑Fri Sep 09, 2022 8:46 am Dear Quxiao,

a full self-consistent calculation ie considering off diagonal elements of the self-energy can be done at COHSEX level using the yambo_sc executable.

Best,
Daniele

Dear Daniele,
Thank you very much for your reply. In this case, can we use the same command for band calculation ? Such as 'yambo_sc -p p -g n -V par'

Thanks and Regards,

Dear all,
I am trying to perform Off-diagonal matrix elements calculation. In the input file, I defined the self-consistent model "COH+SEX+HARTREE". I am getting an error
Self-Consistent COH+SEX+HARTRE
[WARNING] HXC collisions not found. Potential is computed on the fly.

Please help me regarding this.

Thank you

Dear Nilesh,
this is a harmless warning, it is just a warning that collisions matrix elements have not been previously calculated and stored and are then computed on the fly.

Best,
Daniele