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Fermi energy correction

Posted: Thu Dec 03, 2020 7:25 pm
by pyadav
Hi,

I'm very new to yambo code. Can someone please help me where to get Fermi energy and how to do fermi energy correction for a G0W0 bandstructure (plot)?

Thank you!

Re: Fermi energy correction

Posted: Fri Dec 04, 2020 6:30 am
by Daniele Varsano
Dear Pyadav,
Welcome to the yambo forum.
Please sign your posts with your name and affiliation, this is a rule of the Forum.
Yambo by convention shifts energies setting to zero the valence band maximum. The Fermi energy is anyway reported in the report file in the
section (search the string Fermi Level):

Code: Select all

Energies [ev] & Occupations
and this is read by the Quantum Espresso output.

So you can shift the Kohn-Sham eigenvalues (band structure) by this value and then apply the GW correction.

Best,
Daniele

Re: Fermi energy correction

Posted: Sun Dec 06, 2020 10:18 am
by pyadav
Thank you Dr. Daniele for the reply, it really helped!