Comparing excitonic transition dipoles across different materials

[miguel.morales]

Hi there,

I am trying to assess the difference in "brightness" across different excitonic species in different materials, as these species are conceptually similar. Is it possible to directly compare the (unscaled) excitonic transition dipoles obtained from Yambo across different materials, or do I need to account for k-point sampling or BZ volumes?

Best,

Miguel

[Daniele Varsano]

Dear Miguel,

yes you can do. Even if intensity are normalized in the output to the max intensity, in the same output is also reported the scaling factor, so you can obtain the unscaled intensity for each material.

Best,

Daniele

[Davide Sangalli]

Dear Miguel,

In the code, the excitonic dipoles are defined as

Code: Select all

sum_{cvk} A_{cvk} d_{cvk}

where A_{cvk} are normalized to 1

Best,
D.