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["Chun Li " <chun.li@mf.mpg.de>]

Dear all,

I don't know if you have understood what I said. To be specific, I am
performing linear response calculations on the supercell of wurtzite
structure. However, I found that the obtained dielectric and
piezoelectric constants are very sensitive to the thickness of the
vacuum layer. So I raised the problem. I'm eager to receive your ideas.
Thanks again.

Best regards.

Chun Li

-----Original Message-----
From: Chun Li [mailto:chun.li@mf.mpg.de] 
Sent: Thursday, October 21, 2004 3:33 PM
To: forum@abinit.org
Subject: [abinit-forum] RF calculation on supercell

Dear all,

When I perform RF calculations on my supercell model, I found that the
perturbations are applied on the whole supercell (including the vacuum
layer), but not only on the atom layer as I hope. How to solve this
problem then? Could anyone give me some ideas? Thanks a lot.

Best regards.

Chun Li