you should see how to calculate the workfunction where you can get the vacuum level through potential distribution along some direction.
在2016-07-26 23:45:34，[email protected]写道： Dear users, I would like to calculate the highest occupied state energy of a nano-structure with respect to the vacuum level. I took vacuum about 20A, if I increase the vacuum the total energy and gap do not change but the highest occupied and the lowest occupied states will be shifted up with a same amount. I can't understand the meaning of this energy shift, how can I calculate these energy respect to the vacuum level? I really appreciate your help in advance. WBR -NN Teran uni
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