excitonic transition

Deals with issues related to computation of optical spectra in reciprocal space: RPA, TDDFT, local field effects.

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samaneh
Posts: 165
Joined: Tue Jan 21, 2014 9:03 am

excitonic transition

Post by samaneh » Sat Aug 20, 2016 1:14 pm

Dear Developers,
I've done bse-diagonalization
but I did not uncomment the flag "WRbsWF"
in my input file!!
Can I get any information about the excitonic transitions from the outputs???
I do not need to plot the exciton wavefunctions!!

Best regards
Samaneh
S. Ataei, PhD student at University of Tehran, Iran.

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Daniele Varsano
Posts: 4198
Joined: Tue Mar 17, 2009 2:23 pm
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Re: excitonic transition

Post by Daniele Varsano » Sun Aug 21, 2016 10:07 am

Dear Samaneh,

I fear you need to diagonalize again your BS matrix activating the WRbsWF variable in order to have access to the eigenvectors.

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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