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>
how could I calculator the Hg without d electrons
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zhaohuxian
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how could I calculator the Hg without d electrons
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>
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>
Last edited by zhaohuxian on Thu Aug 26, 2010 2:44 am, edited 1 time in total.
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support_vasp
- Global Moderator
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Re: how could I calculator the Hg without d electrons
Hi,
We're sorry that we didn’t answer your question. This does not live up to the quality of support that we aim to provide. The team has since expanded. If we can still help with your problem, please ask again in a new post, linking to this one, and we will answer as quickly as possible.
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