[Wien] Surface states and slab thickness

[Michael Gurnett]

I just read the email from Peter regarding surface states on the Cu(111) surface. I was wondering If I'm using a correct slab geometry. I have a 10 layer Ge slab (5 layers and mirrored in the z-direction). The reconstructed surface is therefore on both sides of the slab. The vacuum gab is 8 layers thick. Is this suffiecient to calculate surface states or do I need to increase the slab thickness.

best wishes

Michael
-------------- next part --------------
An HTML attachment was scrubbed...
URL: http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20040311/53784e05/attachment.html