Check topological magnetic materials

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Check Topological Magnetic Mat.

Check Topological Magnetic Mat.

Given a file that contain the eigenvalues at each maximal k-vec of a magnetic space group, the program gives the set of irreducible co-representations at each maximal k-vec. Then, using the compatibility relations and the set of Elementary Band Representations (EBRs), it checks whether the set of bands can be expressed as linear combinations of EBRs. This (self-explanatory) file shows the format of the file to be uploaded in the menu on the right:

File_Description

You can download examples of input files here:

Topological phase (NLC): ErVO3
Topological phase (SEBR): Nd2CuO4
Enforced Semimetal (ES): U3As4
Enforced Semimetal with degeneracy at Fermi level (ESFD): Tl5Fe8Se10
Trivial insulator (LCEBR): LiFeP2O7

You can generate the "trace.txt" file in your own computer using VASP and this program (fortran).

Mvasp2trace

Read the "README.pdf" file for help on the use of Mvasp2trace.
If you are using "Check Topological Magnetic Mat." and/or "Mvasp2trace" programs in the preparation of an article, please cite these references:

Xu, Y; Elcoro, L.; Song, Z.; Wieder, B.J.; Vergniory, M.G.; Regnault, N.; Chen, Y.; Felser, C.; Bernevig, B.A. "High-throughput calculations of magnetic topological materials" Nature (2020) 586, 702-707.

Elcoro,L.; Wieder, B.J.; Song, Z.; Xu, Y.; Bradlyn, B.; Bernevig, B.A. "Magnetic Topological Quantum Chemistry" Nature Communications (2021) 12, 5965.

Link to the catalogue of topological magnetic materials,

www.topologicalquantumchemistry.fr

Upload your traces.txt file (see the help in the column on the left).

For comments, please mail to
administrador.bcs@ehu.eus