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!
question about excitondb.py
Moderators: palful, amolina, mbonacci
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question about excitondb.py
Yunfei Bai
Institute of Physics Chinese academy of sciences, Beijing
Institute of Physics Chinese academy of sciences, Beijing
- palful
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Re: question about excitondb.py
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
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
Dr. Fulvio Paleari
S3-CNR Institute of Nanoscience and MaX Center
Modena, Italy
S3-CNR Institute of Nanoscience and MaX Center
Modena, Italy