[Wien] include the d shell in Na under high pressure

[Wei Zhou]

dear users ;
           I want to take  more empty shell consideration into ,     for
example ;  Na  is 2p63s1, I want to take the 3p and 3d electron into
consideration,
so how can I do for this,at high pressure ,the d shell  should  be occupated
, however ,I didnot find the d shell in the output.

can you say something about it ? any help will be appreciated


thank you very much



-- 
ZhouDawei
JiLin Universiyt ,ChangChun ,China
zdw2000 at gmail.com
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