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 ?
Problems with homo e lumo, and the range energy in DOS
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neel
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Problems with homo e lumo, and the range energy in DOS
Last edited by neel on Mon Jan 13, 2014 10:42 pm, edited 1 time in total.
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support_vasp
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Re: Problems with homo e lumo, and the range energy in DOS
Hi,
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