Skip to content

primitive_lattice in magnetic Spglib dataset #328

@atztogo

Description

@atztogo

Documentation of primitive_lattice in magnetic Spglib dataset is written here. For this I have a question. For type-IV magnetic space groups, is an anti-translation contained in its primitive cell? Or is this primitive cell that found for the space group ignoring magnetic moments? I believe the former because of the following code, but I would like to confirm.

The possible basis vectors (pure translations) of this primitive cell are found considering no spin flip translation only.

spglib/src/spin.c

Lines 166 to 167 in f44a3c5

if (mat_check_identity_matrix_i3(identity, sym_msg->rot[i]) &&
!sym_msg->timerev[i]) {

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