The units of Dipoles obtained using yambopy

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Guo_BIT
Posts: 39
Joined: Tue Jun 06, 2023 2:55 am

The units of Dipoles obtained using yambopy

Post by Guo_BIT » Wed Aug 06, 2025 10:49 am

Dear Developers,

I have obtained the dipoles along different directions using Yambopy, following the website:
viewtopic.php?t=1889

The extracted data is as follows:

Code: Select all

0.12008734 - 0.18181457j
-0.36308822 - 0.017739873j
-2.1394248 - 0.07620608j
-4.828707 + 4.8151965j
20.601658 + 17.380335j
-7.0335217 - 4.9788766j
-1.5650864 - 0.9189489j
-0.08713954 - 0.15790565j
-0.058562797 - 0.31479385j
Furthermore, on the website mentioned above, it is stated that the unit of the dipoles obtained in this case is Bohr. According to my understanding, the square of the real part plus the square of the imaginary part of the dipole determines whether the exciton is bright or dark.

Therefore, is the unit of the exciton oscillator strengths obtained in the *_E_* file also be Bohr²?
Jingda Guo
Beijing Institute of Technology

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