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Problems with homo e lumo, and the range energy in DOS

Posted: Mon Jan 13, 2014 10:42 pm
by neel
i calculate the dos for pure gold and for gold with one molecule adsorption.
The range of dos in gold is -6eV to +6eV. the gold with this molecule the range of dos energy goes to -1000eV to +1500eV. I don't understand this. Could someone help me ?

Re: Problems with homo e lumo, and the range energy in DOS

Posted: Thu Sep 12, 2024 9:02 am
by support_vasp

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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VASP