Mp-1029845: is the bandgap correct?


While looking at mp-1029845, I noticed that its bandgap (8.19 eV) is very different from the legacy one (1.93 eV). I looked at the history of the calculations, but I could not find any values of bandgap close to 8 eV, they were all around 1.8-1.9 eV… which is more reasonable… My own calculation shows a gap of around 1.8 eV… Could it be an error ?

Thanks in advance!

@VicTrqt thanks for flagging this, we will take a look.

– Jason

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