How to calculate work function

Matt W MattWa... at
Thu Jan 8 22:45:53 UTC 2015


it is difficult to give a really sensible answer to your question, it is 
pretty wide open...

Often, the idea is to define where the "vacuum" level is, then to make sure 
whatever you are doing is consistent with this.reference point.


On Monday, December 29, 2014 at 4:35:39 AM UTC, stclair wrote:
> Hello,
>     Can somebody tell me how to calculate the work function of materials 
> using CP2K?
>     Thanks great!
> Best wishes
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