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Relax slab structure? #32

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Henrium opened this issue May 27, 2024 · 0 comments
Open

Relax slab structure? #32

Henrium opened this issue May 27, 2024 · 0 comments

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@Henrium
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Henrium commented May 27, 2024

Thanks for developing this package!
I have a question regarding the "Ionisation potential of a bulk material" part: in the slab calculation, should we relax the slab structure, or keep it the same as bulk structure? Might be helpful to clarify in the Tutorial.
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