non-linear response

Deals with issues related to computation of optical spectra, in RPA (-o c) or by solving the Bethe-Salpeter equation (-o b). Includes local field effects, excitons, etc.

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Marzieh
Posts: 23
Joined: Sun Feb 28, 2021 8:46 pm

Re: non-linear response

Post by Marzieh » Tue Apr 06, 2021 9:41 pm

Dear Claudio,
As I mentioned I tried to increase kpoint but I had some errors...


Best,
Marzieh
Marzieh Ghoohestani, PhD
Institute of Condensed Matter and Nanosciences,
Université Catholique de Louvain,
8 Chemin des étoiles, 1348 Louvain-la-Neuve, Belgium
https://uclouvain.be/en/directories/marzieh.ghoohestani

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claudio
Posts: 320
Joined: Tue Mar 31, 2009 11:33 pm
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Re: non-linear response

Post by claudio » Wed Apr 07, 2021 9:13 am

Dear Marzieh

you used too many bands in that example, please try to increase k-points but keep the number of bands low
to begin just 3 valence and 3 conduction and then if it works
you can increase it

best
Claudio
Claudio Attaccalite
[CNRS/ Aix-Marseille Université/ CINaM laborarory / TSN department
Campus de Luminy – Case 913
13288 MARSEILLE Cedex 09
web site: http://www.attaccalite.com
Freely download scientific books from: http://www.freescience.info

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