[Pw_forum] Magnetic Field

J. D. Burton jdburton1 at gmail.com
Thu Jun 27 19:24:48 CEST 2013

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.

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
Pw_forum mailing list
Pw_forum at pwscf.org

More information about the users mailing list