Dear Prof. Daniele
I obtain a strange distribution of exciton wavefunction as figure that follows. I don't know whether this distribution makes sense or more precise k-grid affect this result.
Best,
Pang
The strange distribution of exciton wavefunction
Moderators: Davide Sangalli, andrea.ferretti, myrta gruning, andrea marini, Daniele Varsano, Conor Hogan
-
Yuan Pang
- Posts: 17
- Joined: Fri Mar 05, 2021 2:26 pm
The strange distribution of exciton wavefunction
You do not have the required permissions to view the files attached to this post.
School of Physics, Shandong University
Jinan, CHINA
Jinan, CHINA
-
Daniele Varsano
- Posts: 3829
- Joined: Tue Mar 17, 2009 2:23 pm
- Contact:
Re: The strange distribution of exciton wavefunction
Dear Pang,
hard to say anything without more details, anyway yes, the k point sampling affects the localization of the exciton wavefunction.
Best,
Daniele
hard to say anything without more details, anyway yes, the k point sampling affects the localization of the exciton wavefunction.
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/