[gpaw-users] Work function on a copper surface

Juho Arjoranta juho.arjoranta at helsinki.fi
Wed Jul 25 14:39:29 CEST 2012


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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