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- From: Xinjie Wang <xinjie@physics.rutgers.edu>
- To: forum@abinit.org
- Subject: Re: [abinit-forum] 5.4.3 - better at static dielectric constant?
- Date: Tue, 04 Sep 2007 23:12:11 -0400
Hi David,
This feature (B.10) does not give more efficient/accurate calculations
of the static dielectric properties. It allows the calculation of
electric-field-dependence of Born effective charges and dielectric tensor. You can read this paper, Phys. Rev. B 75, 115116 (2007),
for details.
Regards,
Xinjie
david.hendry@mandmd.com.au wrote:
Dear Abinitors,
I'm interested in the static dielectric constant of ceramics/insulators. I notice the latest release notes of Abinit: "B.10 Born effective charges and dielectric tensor calculations can now be computed in a finite electric field."
Does this feature or any other new feature (from 5.3.4) allow a more
efficient/accurate calculation of the static dielectric properties?
Sincerely,
David.
- 5.4.3 - better at static dielectric constant?, david . hendry, 09/05/2007
- Re: [abinit-forum] 5.4.3 - better at static dielectric constant?, Xinjie Wang, 09/05/2007
- Re: [abinit-forum] 5.4.3 - better at static dielectric constant?, Nicola Marzari, 09/05/2007
- Re: [abinit-forum] 5.4.3 - better at static dielectric constant?, Xinjie Wang, 09/05/2007
- Re: [abinit-forum] 5.4.3 - better at static dielectric constant?, Philippe Ghosez, 09/05/2007
- RE: [abinit-forum] 5.4.3 - better at static dielectric constant?, David Hendry, 09/06/2007
- Re: [abinit-forum] 5.4.3 - better at static dielectric constant?, Philippe Ghosez, 09/06/2007
- Re: [abinit-forum] 5.4.3 - better at static dielectric constant?, Xavier Gonze, 09/06/2007
- Re: [abinit-forum] 5.4.3 - better at static dielectric constant?, Philippe Ghosez, 09/06/2007
- RE: [abinit-forum] 5.4.3 - better at static dielectric constant?, David Hendry, 09/06/2007
- Re: [abinit-forum] 5.4.3 - better at static dielectric constant?, Nicola Marzari, 09/05/2007
- Re: [abinit-forum] 5.4.3 - better at static dielectric constant?, Xinjie Wang, 09/05/2007
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