Skip to content

Expose phonopy's QPOINTS mode. #659

@dmt4

Description

@dmt4

Summary

Phonons band structure calculations output lines of points rather than single points. While this is still usable for purposes other than band plots, it can be a bit clunky.

Phonopy has qpoints mode where it calculates and writes data for a list of points, which is handy.

This functionality can be replicated easily with little code if using the py api, however it may useful to have it in command line mode too.

Example

No response

Alternatives

No response

Additional context

No response

Metadata

Metadata

Assignees

No one assigned

    Labels

    enhancementNew/improved feature or request

    Type

    No type

    Projects

    No projects

    Milestone

    No milestone

    Relationships

    None yet

    Development

    No branches or pull requests

    Issue actions