[Wien] Characters of atoms in the fold2bloch bands.

Artem Tarasov artem.tarasov at spbu.ru
Fri May 1 03:35:11 CEST 2020


Dear all,

Now I'm looking for the way of matching unfolded bands produced by the 
fold2bloch with the information about characters of different atoms in 
band structure, which is contained in the .qtl file after completion 
of the "lapw2 -qtl" procedure.

Can I find out the links that exist between k-points in the initial 
supercell and the list of k-points of the 1x1 unit cell created by 
fold2bloch?

Thanks for help.

Sincerely yours,
Artem Tarasov
Department of Solid State Electronics
Saint Petersburg State University.


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