Bilbao Crystallographic Server arrow Check Topological Phonons Help

Check Topological Phonons

Check Topological Phonons
Given a file that contain the eigenvalues at each maximal k-vec of a space group, the program gives the set of irreducible representations at each maximal k-vec. Then, using the compatibility relations and the set of Elementary Band Representations (EBRs), it checks whether every set of gapped phonon 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:

Compound: Al2ZnTe4
Compound: ZnPbF6_15107
You can generate the "trace.txt" file in your own computer using VASP and this program (fortran).

phonopy2trace

Read the "README.pdf" file for help on the use of phonopy2trace.
If you are using "Check Topological Phonons" and/or "phonopy2trace" programs in the preparation of an article, please cite these references:

Yuanfeng Xu, M.G. Vergniory, Da-Shuai Ma, Juan L. Mañes, Zhi-Da Song, B. Andrei Bernevig, Nicolas Regnault, Luis Elcoro "Catalog of topological phonon materials" Science (2024) 384, 6696. doi:10.1126/science.adf8458


Link to the catalog of topological materials,

www.topologicalquantumchemistry.com/topophonons
www.topologicalquantumchemistry.fr/topophonons
Upload your traces.txt file (see the help in the column on the left).



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