[Pw_forum] calculating magnetic moment

[Prasenjit Ghosh]

Hi Rudra,
you can do spin polarized cal. by setting nspin=2 in & system card. The code
prints out the total magnetism for the system in mu_B/cell. If you want to
find out the magnetic moment on each atom, use projwfc.x executable. At the
end of the o/p file it prints out the polarization on each atom.

Hope that helps.

Prasenjit.

On 1/9/07, Rudra <rudrabnrj at gmail.com> wrote:
>
> hello friends,
> i want to calculate magnetic moment of atoms in a cluster.can I use pwscf
> for this purpose?and how?
> plz let me now
> thanking you
>
> --
> rudra                                                                              Please,
> if possible, don't  send me MS Word or PowerPoint attachments
> ----------
> Why?See:  http://www.gnu.org/philosophy/no-word-attachments.html
> have a nice time




-- 
PRASENJIT GHOSH,
Ph. D STUDENT,
THEORETICAL SCIENCES UNIT,
JNCASR,
BANGALORE-560064,
INDIA.

PHONE:
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