Page 1 of 1

question about excitondb.py

Posted: Sun Mar 12, 2023 1:06 pm
by baiyunfei
Dear developers
I have a question about the data structure of excitondb.py
From code I excitondb.py, I know I can read exciton wavefunction with yambopy.Exciton eigenvectors are arranged as eigenvectors[i_exc, i_kvc]
Transitions are unpacked in table[ i_k, i_v, i_c, i_s_c, i_s_v ].This works well with q=0 exciton. However,when it comes to q!=0 exciton, the meaning of index i_k becomes vague ,whether it refers to electron momentum or hole momentum?
Best wishes!

Re: question about excitondb.py

Posted: Mon Mar 13, 2023 10:49 am
by palful
Dear Yunfei,

Technically the index "ik" refers to the "electron" momentum.

This depends on the yambo convention for electron-hole transitions: in yambo, an exciton at transfer momentum q is calculated with transitions like (vk' --> ck) where k' = k-q. The index "ik" refers to "k" in this scheme.

Cheers,
Fulvio