Skip to content

Parse AIRSS .res files #5

@janosh

Description

@janosh

Is there functionality in castep-parse to parse .res files? Specifically, I'm trying to extract the structure in SHELX format and data like pressure, volume, enthalpy, spin and symmetry.

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