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How to output the BSE exciton transiton dipole?

Posted: Sat Jun 13, 2020 8:06 am
by plasmon
Dear Developers,

Is it possible to output the BSE exciton transition dipole when calculating the light absorption?

Thank you!

Hao Zhang

Re: How to output the BSE exciton transiton dipole?

Posted: Sat Jun 13, 2020 9:19 am
by Daniele Varsano
Dear Hao Zhang,
please have a look to this thread,
viewtopic.php?p=7783#p7783

you can find a python script to extract the transition dipoles. From the dipoles, you can then evaluate the BSE residuum by weighting them with the BSE eigenvalues contained in the strength output (to be normalized).

Best,
Daniele