Skip to content

Documentation for python returned values #354

@YKQ98

Description

@YKQ98

When I am using python based spglib, I am confused about the rotation matrix returned. For example, for the sym dataset returned rotation matrices R \in R^{3,3}, shall I use it as Rx, where x \in R^3 is a column vector, or shall I use it as xR, where x \in R^3 is a row vector? and Also for the returned std_rotation_matrix Rot \in R^{3,3}, shall I regard it as a left rotation which resulting in (Ra,Rb,Rc) where a,b,c are column lattice vectors, or the right rotation like (aR,bR,cR) where a,b,c are column vectors?

This is confusing because L matrix are returned as a row vector based matrix, and also P matrix. But I do not know what rotations means.

Metadata

Metadata

Assignees

No one assigned

    Labels

    No labels
    No labels

    Type

    No type

    Projects

    No projects

    Milestone

    No milestone

    Relationships

    None yet

    Development

    No branches or pull requests

    Issue actions