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polarizations using Berry phase method


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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



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