[gpaw-users] How can the vacuum potential be found out

[Georg Kastlunger]

Which boundary do you mean?
Is it the value at one certain point in the cell or an average of an 
interface between unit cells?

Best regards,
Georg

On 02/06/2012 04:50 PM, Ask Hjorth Larsen wrote:
> Hi
>
> On Mon, 6 Feb 2012, Georg Kastlunger wrote:
>
>> Thanks again!
>>
>> But one last question remains and it is the following:
>> What is the energy reference ( energy zero point) for the eigenvalues
>> and the fermi energy in the standard output?
>>
>> Thank you very much for your help!
>>
>> Georg
>
> They are uniquely defined by having the potential equal to zero at the 
> boundary.
>
> Regards
> Ask
>
>