Skip to content

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

@andreww

Description

@andreww

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.

Metadata

Metadata

Assignees

No one assigned

    Labels

    No labels
    No labels

    Projects

    No projects

    Milestone

    No milestone

    Relationships

    None yet

    Development

    No branches or pull requests

    Issue actions