[Wien] Characters of atoms in the fold2bloch bands.

Артем Тарасов artem.tarasov at spbu.ru
Wed May 13 03:25:49 CEST 2020


Hello Oleg,

yes, I am. The systems with SOC are the main field of my interests. 
Initially I was attempting to include QTL-information in unfolded bands exactly for their studying.
So now I use the results of fold2bloch for the case.vectorsoup(dn) files, as well as the “x lapw2 -up (-dn) -qtl -so” procedure and its output files: case.qtlup and case.qtldn.
It also allow me to see a realistic picture for spin-polarized bands, that was unable with using only the lapwso output.

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

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