can I get information about interband transition

[xixi]

Dear Developer;
If ignore the e-h coupling, I only want to know the transition from HOMO-LUMO at Gamma or other specific k point in a single particle picture, can ypp do this?

Thanis

SSC

[Daniele Varsano]

Dear Xixi,
I did not understand exaclty your question, what do you want to look at?
The independent particle transition can be seen at DFT level, looking at the KS energies in the report file for each k points.
If your are interested in also oscillator strength, you can do an independent particle calculation, i.e. a BSE-like calculation
without exchange and eh correlation, and analyze it with ypp.

Best,

Daniele