Skip to content

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

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.

Activity

Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment

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