[gpaw-users] Work function on a copper surface

[Ask Hjorth Larsen]

Hi

2012/7/25 Juho Arjoranta <juho.arjoranta at helsinki.fi>:
> Hello,
>
> I was calculating the work function on a copper surface and was about
> to enlarge the surface when the memory usage skyrocketed. In the
> calculation I used the PBE exchange correlation functional and Poisson
> solver with a dipole correction.
>
> How could I find out the relative change in the work function with a
> reasonable memory usage? I'm sure someone has done it already.
>
> Juho Arjoranta
>
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Yes, the memory consumption depends on the system size.  You don't
seem to provide much info on the actual calculation.

Regards
Ask