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Re:Electronic Structure of LK-99 by marcosdumay on Tuesday August 01, 2023 @10:16PM (#36966152)
Keep in mind that a theoretical model agreeing with possible superconductivity is a pretty weak signal. Even more a DFT one.

Real models for superconductivity take a lot of work to create, it's not something people do for an unverified material, and it's not something you get out of DFT. That paper's agreement is more on the lines of "yeah, all superconductors are grey, and this thing is grey, it can be."

But then, they talked about diamagnetism (graphite-like one, I imagine). Honestly, I have no idea how one could disprove (graphite-like) diamagnetism with that simulation, but disproving it is really good news.

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