Dear developers,
I use "BSEmod=resonant" when I calculate Bethe-Salpeter kernel and obtain an optical absorption spectrum, but the output file of diagonalizing a previously calculated Bethe-Salpeter (BS) kernel shows that we use "BSEmod=resonant". How can we solve this problem? And should BSEmod be consistent when calculating kernel and absorption spectra? If not, then how do we choose BSEmod?
Thank you very for your help!
Best,
Liu
BSEmod
Moderators: Davide Sangalli, andrea.ferretti, myrta gruning, andrea marini, Daniele Varsano, Conor Hogan
- Daniele Varsano
- Posts: 4198
- Joined: Tue Mar 17, 2009 2:23 pm
- Contact:
Re: BSEmod
Dear Liu,
BSEmod does not have an effect when building the kernel unless you select the "coupling" option.
The reason why you have retarded BSEmode in the output is explained in the report file:
Best,
Daniele
BSEmod does not have an effect when building the kernel unless you select the "coupling" option.
The reason why you have retarded BSEmode in the output is explained in the report file:
Code: Select all
[WARNING]Fractional e/h occupations. Retarded BSEmode forced.
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/
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/