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RE: [abinit-forum] Electric Field


Chronological Thread 
  • From: "Amancherla, Sundar \(Research\)" <Sundar.Amancherla@geind.ge.com>
  • To: <forum@abinit.org>
  • Subject: RE: [abinit-forum] Electric Field
  • Date: Thu, 12 Feb 2004 14:56:45 +0530
  • Importance: high
  • Priority: Urgent

Thanks very much Xavier.

Could you pls let me know an approximate time frame that we can expect the
first 4.3 release?

Thanks very much.

Best Regards,
--
Aman


> -----Original Message-----
> From: Xavier Gonze [mailto:gonze@pcpm.ucl.ac.be]
> Sent: Thursday, February 12, 2004 12:58 PM
> To: forum@abinit.org
> Subject: Re: [abinit-forum] Electric Field
>
>
> Dear Amancherla Sundar,
>
> Amancherla, Sundar (Research) wrote:
> > I have a question on the response calculations of
> Ferro-Electric oxides
> > in a homogeneous electric field -
> >
> > - The tutorial example describes how to calculate the
> phonon modes in a
> > perturbation using an electric field. I would like to calculate the
> > atomic displacements as a result of the application of the electric
> > field, i.e. the resultant structure in addition to the phonons.
>
> The ability to deal with geometry optimizations in finite
> electric field
> will be available in ABINITv4.3, thanks to Marek Veithen.
> Wait still some time, it is coming ...
>
> Xavier Gonze
>
>



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