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Scaling of k-point grid for CASTEP GSF calculations #24

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andreww opened this issue Mar 12, 2018 · 0 comments
Open

Scaling of k-point grid for CASTEP GSF calculations #24

andreww opened this issue Mar 12, 2018 · 0 comments

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@andreww
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andreww commented Mar 12, 2018

When building cells for GSF calculations from an unit cell with k-points abc, disloPy multiplies c by the number of layers in the z direction of the GSF cell. Presumably this should be a division so that the k-point density stays the same.
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@andreww