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how could I calculator the Hg without d electrons

Posted: Thu Aug 26, 2010 2:44 am
by zhaohuxian
Hi everyone

I want to performe calculations where the Hg 5d electrons are frozen into the core to compare with the result with the electrons.

how could i frozen the d electrons ???

Thank you !!!
<span class='smallblacktext'>[ Edited ]</span>

Re: how could I calculator the Hg without d electrons

Posted: Wed Sep 11, 2024 2:26 pm
by support_vasp

Hi,

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