Problems with homo e lumo, and the range energy in DOS
Posted: Mon Jan 13, 2014 10:42 pm
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 ?
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 ?