BSE and exciton analysis

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)

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Daniele Varsano
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Re: BSE and exciton analysis

Post by Daniele Varsano » Thu Mar 06, 2025 8:36 am

Dear Reza,

the abortion spectrum comes from the diagonalization of the BSE.
The momentum transfer is set by the variable BSEQptR which by default is (1,1) which is the zero momentum transfer.

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/

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