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- From: Ms Gargi Dutta <gdutta@jncasr.ac.in>
- To: forum@abinit.org
- Subject: Dipole correction
- Date: Tue, 24 Feb 2004 11:31:20 +0530 (IST)
Hi,
i am an Abinit user. I am doing a surface calculation of CeO2, in
which i have layers of Ce and O alternating , and terminating with
Ce layer on one end and O layer on the other end. Hence the system
has a depolarization field which needs to be corrected.
I don't know how to introduce an artificial electric field
in the vacuum region in order to cancel the depolarization field.
I am not able to figure out the 'input variables' for the
above purpose.
regards,
Gargi
- Dipole correction, Ms Gargi Dutta, 02/24/2004
- Re: [abinit-forum] Dipole correction, Xavier Gonze, 02/24/2004
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