[Pw_forum] Magnetic Field

[J. D. Burton]

Dear Farzad Shirazian,

One way to do it is to use " constrained_magnetization = 'total' " where you
can set "fixed_magnetization". At the end of the calculation you get a value
of the "Magnetic field" (listed in the standard output) required to force
the system to have whatever fixed_magnetization you specified. Physically,
this just comes from the definition H = dE/dM.

Do this for a series of fixed_magnetization values, and you will end up with
the relationship M(H) as well as a set of calculations with different values
of H. If you are interested in a specific field which didn't come up for the
values of fixed_magnetization you used, you can use this relationship M(H)
to decipher an appropriate "fixed_magnetiztaion" for the field you want to
apply. Thus you have (in a round-a-bout way) applied a magnetic field to
your system.

Cheers,
J. D.

************************************
J. D. Burton, Ph.D.
jdburton1 at gmail.com 
Research Assistant Professor
University of Nebraska Lincoln
Physics and Astronomy
Office Ph. (402) 472 2499
Mobile Ph. (402) 419 9918
310A Jorgensen Hall
CV: http://tinyurl.com/2avltsc 
************************************
"The job of a scientist is to generate wrong ideas as fast as possible."
-- Murray Gell-Mann


-----Original Message-----
From: pw_forum-bounces at pwscf.org [mailto:pw_forum-bounces at pwscf.org] On
Behalf Of xirainbow
Sent: Wednesday, June 26, 2013 10:25 PM
To: PWSCF Forum
Subject: Re: [Pw_forum] Magnetic Field

Dear Farzad Shirazian:
      I do not think QE can apply magnetic field to a system.

On Thu, Jun 27, 2013 at 5:42 AM, Farzad Shirazian
<farzad.shirazian at gmail.com> wrote:
> Dear all,
> Is it possible to apply a magnetic field of a specific value to a 
> system with QE? If it is not added to the package yet, is there a 
> trick to study a system under a magnetic field?
> Any help would be greatly appreciated.
>
> Best Regards,
> Farzad Shirazian
> Sharif University of Technology
>
>
>
> _______________________________________________
> Pw_forum mailing list
> Pw_forum at pwscf.org
> http://pwscf.org/mailman/listinfo/pw_forum



--
____________________________________
Hui Wang
School of physics, Fudan University, Shanghai, China
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