[Pw_forum] highest occupied state

[plgong]

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，plgongplgong at theory.issp.ac.cn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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