[DFTB-Plus-User] Transition Dipole Between MOs

Xuyan Ru xuyan.ru at duke.edu
Wed Jan 6 20:00:39 CET 2016


Hi All,

I am currently using dftb+ to do some calculations, and I need the transition dipole between MOs, can somebody tell me how to show it in the output?

Thanks,
Xuyan

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