[Wien] can wien2k do this?

[Wei Zhou]

dear professor ;
           I want to take  more empty shell consideration into , that is
including  more electrons for showing the density of state.
        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
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20090629/6d490cc1/attachment.htm>