Hello,
I recently ran some BSE calculations, and now I'm doing some exciton analysis. By using ypp I could extract the exciton oscillator strenght and amplitude for some of the states, but for some other ones the generated weight file is empty. Note that for the very same state the amplitude file seems normal, and its plot also does. Is it expected for some of these files to be empty? If that's the case, why?
Regards,
Empty weight file for BSE
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Bruno
- Posts: 72
- Joined: Tue Dec 08, 2020 11:16 am
Empty weight file for BSE
MSc. Bruno Cucco
PhD Candidate
CNRS Institut des Sciences Chimiques de Rennes, France
Université de Rennes 1
https://iscr.univ-rennes1.fr
PhD Candidate
CNRS Institut des Sciences Chimiques de Rennes, France
Université de Rennes 1
https://iscr.univ-rennes1.fr
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Daniele Varsano
- Posts: 4207
- Joined: Tue Mar 17, 2009 2:23 pm
- Contact:
Re: Empty weight file for BSE
Dear Bruno,
no, it is not expected, in order to spot the problem you should post input/report/output etc..
Best,
Daniele
no, it is not expected, in order to spot the problem you should post input/report/output etc..
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/