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Bader analysis?
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Nicholas Winner
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Sep 5, 2019, 5:11:19 PM
9/5/19
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Is there a subset of the materials project database that includes Bader charge partitioning for materials?
If so, can it be accessed via the MPRester somehow? I don't see mention of Bader charges in any of the code for pymatgen.
Thanks,
Nick
K K Sram
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Sep 27, 2019, 10:38:22 PM
9/27/19
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i dont think it has the subset
thanks
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