[Pw_forum] ?semi-infinite slab?

Vasile Chis cvasse at fy.chalmers.se
Mon Jul 19 17:48:37 CEST 2004

Dear users,

I'm curious about how the technique of expanding a slab by introducing 
slab-adapted bulk interatomic force constants is done.

--Stefano Baroni wrote:
 >Of course, the number of modes thus obtained is limited by the=20
 >thickness of the slab. When you're done with this excercise, please=20
 >revert to this forum and we will teach you how to simulate a=20
 >"semi-infinite" slab by patching interatomic force constants 

 >for the bulk onto the results obtained for the finite slab.

Thank you in advance.

Vasile Chis
Interface Modelling Group
Solid State Physics
Department of Experimental Physics
Göteborgs Universitet/Chalmers

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