The output of GW

Concerns issues with computing quasiparticle corrections to the DFT eigenvalues - i.e., the self-energy within the GW approximation (-g n), or considering the Hartree-Fock exchange only (-x)

Moderators: Davide Sangalli, andrea.ferretti, myrta gruning, andrea marini, Daniele Varsano

User avatar
Daniele Varsano
Posts: 4198
Joined: Tue Mar 17, 2009 2:23 pm
Contact:

Re: The output of GW

Post by Daniele Varsano » Tue May 25, 2010 10:47 am

Dear Shudong,

They are both energy differences,
in the report you should have the complete electronic LDA structure of your system as well the GW,
I suggest you to plot your band structure, so you can recognize where does this number come from, i.e.
at which energy differences they do correspond.

Best,

Daniele
Dr. Daniele Varsano
S3-CNR Institute of Nanoscience and MaX Center, Italy
MaX - Materials design at the Exascale
http://www.nano.cnr.it
http://www.max-centre.eu/

Post Reply