Bilbao Crystallographic Server arrow Check Topological Mat. Help

Check Topological Mat

Check Topological Mat.
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 (time-reversal is assumed). Then, using the compatibility relations and the set of Elementary Band Representations (EBRs), it checks whether the set of bands can be put 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:

Example_Ag1Ge1Li2      Example_Ag1O2Sc1
Example_B2Ca3Ni7       Example_of_Bad_File
Example_Ba3Ca1O9Ru2
You can generate the "trace.txt" file in your own computer using VASP and this program (fortran).

vasp2trace

Read the "README.pdf" file for help on the use of vasp2trace.
If you are using "Check Topological Mat." and/or "vasp2trace" programs in the preparation of an article, please cite this reference:

M.G. Vergniory, L. Elcoro, C. Felser, N. Regnault, B.A. Bernevig, Z. Wang Nature(2019) 566, 480-485. doi:10.1038/s41586-019-0954-4

Link to the catalogue of topological materials,

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



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