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- From: "Chun Li" <lichun@nuaa.edu.cn>
- To: <forum@abinit.org>
- Subject: polarizations using Berry phase method
- Date: Tue, 19 Sep 2006 11:58:55 +0800
- Disposition-notification-to: "Chun Li" <lichun@nuaa.edu.cn>
Dear all,
I want to perform polarization calculations on ZnO
nanofilms. After ground-state calculations, I found that the slabs are metallic,
which is consistent with the previous research work. But in the direction
perpendicular to the slab, the system is insulating indeed. So I wonder if I can
use the Berry phase method implemented in ABINIT to calculate the polarizations
only in this direction. Any ideas or suggestions are
appreciated.
Thank you and best regards.
Chun |
- polarizations using Berry phase method, Chun Li, 09/19/2006
- Re: [abinit-forum] polarizations using Berry phase method, Xavier Gonze, 09/20/2006
- Re: [abinit-forum] polarizations using Berry phase method, David Vanderbilt, 09/20/2006
- Re: [abinit-forum] polarizations using Berry phase method, Chun Li, 09/21/2006
- Re: [abinit-forum] polarizations using Berry phase method, David Vanderbilt, 09/20/2006
- Re: [abinit-forum] polarizations using Berry phase method, Xavier Gonze, 09/20/2006
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