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Re: [abinit-forum] 5.4.3 - better at static dielectric constant?


Chronological Thread 
  • 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.





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