[DFTB-Plus-User] Real-time TDDFTB, visualization of induced charge density

Fahri Alkan fahri.alkan at agu.edu.tr
Sat Jan 9 02:57:03 CET 2021


Hello all,
I have sent this message previously but did not get a reply. Perhaps it has
not been seen during the holiday season.
I have been working on the new electron dynamics (Real-time TDDFTB) option
to calculate the absorption spectra. I have managed to calculate the
spectra, however, I was wondering if there is a way to calculate/visualize
the induced charge density on the system at a point (especially when the
dipole moment is the largest).
Thank you.


-- 

Asst. Prof. Fahri Alkan

Department of Material Science & Nanotechnology Engineering
Abdullah Gül University
Kayseri, Turkey
Office: BA102
Email: fahri.alkan at agu.edu.tr
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