[Wien] hybridiztion
Yongbin Lee
yblee at iastate.edu
Wed Dec 27 21:01:53 CET 2006
Dear WIEN users
In WIEN2k calculation, is there any way to reduce "hybridization" ?
I have GdFe2 compound and I am interested in the 3d(Fe) states effects on
5d(Gd) states. So, I hope to perform the calculations that have stronger and
weaker hybridization cases between 5d and 3d. It doesn't sound like first
principles calculations but useful.
Could you give any clues about where hybridization comes through ? I mean,
which routines are related to the hybridizations.
Thank you for you help.
Regards
Yongbin
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