Dear all, I have recently looked into color centers in ionic solids and I was wondering if someone is familiar with a "reliable approach" to get the charge states right? By that I mean the localization of a charge in let's say Cl defective NaCl should have acquired an excess charge but judging from postprocessing the cavity is only occupied by a fractional charge and charges are spread around.
I looked at the usual suspects in the examples and the mailing list but it doesn't seem to have come up recently! Any hint is very appreciated! Have a great Monday! Best, Chris -- Postdoctoral Researcher Center for Quantum Nanoscience, Institute for Basic Science Ewha Womans University, Seoul, South Korea
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