[Wien] Characters of atoms in the fold2bloch bands.

[Oleg Rubel]

Hi Artem,

could you please reshape the question? Perhaps using examples of your 
output? Did you try to use eigenvalues to "connect" eigenstates before 
and after unfolding?

Thank you
Oleg

-- 
Oleg Rubel (PhD, PEng)
Department of Materials Science and Engineering
McMaster University
JHE 359, 1280 Main Street West, Hamilton, Ontario L8S 4L8, Canada
Email: rubelo at mcmaster.ca
Tel: +1-905-525-9140, ext. 24094
Web: http://olegrubel.mcmaster.ca

On 2020-04-30 9:35 p.m., Artem Tarasov wrote:
> 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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