[Pw_forum] Na pseudo potential with d states?

Wei Zhou zdw2000 at gmail.com
Sat Sep 20 02:38:35 CEST 2008


hell every one
I want to do some calcualations about sodium under ultrahigh pressure , and
the d shell became important ,but I can not find the corresponding pseudo
potential? what I need is sodium pseudo potential with 2s2 2p6 3p d0,would
someone can give me a such pseudo potential? LDA or GGA . thank you in
advance,any help will be appreciated.
-- 
ZhouDawei
JiLin Universiyt ,ChangChun ,China
zdw2000 at gmail.com
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