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Re: BSE and IPA

Posted: Thu Jan 05, 2023 3:19 pm
by Daniele Varsano
Dear Niloufar,
you can convert the kpoints from rlu (reciprocal lattice units) to Cartesian coordinates.
You can wither do it by yourself reading the lattice parameter from the setup report, or print the list of k points using the ypp utility.

Code: Select all

ypp -k k 
setting in ypp.in:
cooOut= "cc"
and inserting the list of k points you want to convert in:
%GWKpts namelist.

Best,
Daniele

Re: BSE and IPA

Posted: Thu Jan 05, 2023 4:16 pm
by niloufar
Thank you a lot 🌷🌷🌷

Re: BSE and IPA

Posted: Tue Jan 17, 2023 8:02 pm
by niloufar
Hi dear Daniele,
I have a question about the strength and amplitude of excitons. I've seen the formula and I can understand it mathematically, but can you help me with the more precise meaning of them and how are they different?

Thank you in advance for your help @>-

Re: BSE and IPA

Posted: Wed Jan 18, 2023 5:23 pm
by Daniele Varsano
Dear Niloufar,

the amplitude provides you a way to see which independent particle transitions the most participate to the formation of the exciton, and you have in output the energy of these transitions weighted according to the solution of the BSE |Acv!^2:
https://www.yambo-code.eu/wiki/index.ph ... _amplitude

The strength is also related to the weight A_cv but takes into account the dipole moment of each transition, so it tells you if an exciton is bright or dark and how much is intense the absorption of the light at that energy.

Best,
Daniele