[Wien] Avoid leak out of MT sphere with lower RMT values???

Stefaan Cottenier Stefaan.Cottenier at UGent.be
Sat Feb 15 12:35:22 CET 2014


> I have the same problem(core leakage with MT sphere) till now. I tried
> with -10 Ry core-valance energy.
>
> Pls explain me dentally about this part


There is a detailed example at the wien2k website, sec. 7.1.2 of this 
document:

http://www.wien2k.at/reg_user/textbooks/DFT_and_LAPW_2nd.pdf

Stefaan



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