[Pw_forum] highest occupied state
plgong at theory.issp.ac.cn
Wed Jul 27 03:46:23 CEST 2016
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：
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.
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