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Tech excdipoles normalization#93

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rreho wants to merge 8 commits intoyambo-code:bug-fixesfrom
rreho:tech-excdipoles-normalization
Open

Tech excdipoles normalization#93
rreho wants to merge 8 commits intoyambo-code:bug-fixesfrom
rreho:tech-excdipoles-normalization

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@rreho rreho commented Feb 19, 2026

I would like to discuss the normalization conditions on exciton dipoles.

I believe the only change we should do to account for proper normalization is to add a 1/sqrt(Nk) factor and it works regardless whether the database is in IBZ or full BZ, simply because we expand to full BZ anyway in that routines.

The exciton dipoles must be computed from a YamboDipolesDB object with expand=False. If we were to expand the dipoles database the shapes of the bands change becoming [...,bands_all,bands_all...] instead of [...,nc,nv,...]. I am not sure whether this is intended behaviour of Expand method in dipolesdb.

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