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.
_______________________________________________
Wien mailing list
Wien@zeus.theochem.tuwien.ac.at
http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
SEARCH the MAILING-LIST at:
http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html
