Dear developers,
I have plotted the exciton wave functions (WFs) in real space using 'ypp -e w'. Is there any way to get the excitonic WFs in reciprocal space? Does the WFs equal with the exciton weights mapped in a 2D BZ?
Best
Jason
Exciton in reciprocal space
Moderators: Davide Sangalli, andrea marini, Daniele Varsano
-
jasonhan0710
- Posts: 63
- Joined: Wed Dec 23, 2020 6:48 am
- Location: China
Exciton in reciprocal space
Jason Han
Assistant Professor
Department of Physics
National University of Defense Technology
Hunan, China
Assistant Professor
Department of Physics
National University of Defense Technology
Hunan, China
-
Daniele Varsano
- Posts: 4209
- Joined: Tue Mar 17, 2009 2:23 pm
- Contact:
Re: Exciton in reciprocal space
Dear Jason,
yes, you need to look the exciton weights integrated over bands.
They are reported in o.exc* file, the commented part (ypp -e a). There, they are in the IBZ so you need to expand them in the whole BZ, and probably you need also to lower
the weight threshold (Weight_treshold) which is by default 5% of the max value.
Here below a link to plot them using yambopy:
https://www.yambo-code.eu/wiki/index.ph ... ocal_space
Best,
Daniele
yes, you need to look the exciton weights integrated over bands.
They are reported in o.exc* file, the commented part (ypp -e a). There, they are in the IBZ so you need to expand them in the whole BZ, and probably you need also to lower
the weight threshold (Weight_treshold) which is by default 5% of the max value.
Here below a link to plot them using yambopy:
https://www.yambo-code.eu/wiki/index.ph ... ocal_space
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/
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/