[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
calculated=20=
>for the bulk onto the results obtained for the finite slab.
Thank you in advance.
Regards/
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Vasile Chis
Interface Modelling Group
Solid State Physics
Department of Experimental Physics
Göteborgs Universitet/Chalmers
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