polaron calculation

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wxiaom86
Posts: 3
Joined: Tue Jun 11, 2019 1:53 am
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polaron calculation

Post by wxiaom86 »

Hi,

I'm wondering if it is possible that for coarser k mesh (4x4x4) the polaron formation energy is negative but positive for denser k mesh (12x12x12)?

Best,
Xiaoming
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