[Pw_forum] Magnetic moment

[Manoj Narayanan]

Dear QE users

I am doing some spin polarized calculations. The output itself gives a
value for total magnetization and absolute magnetization in  μB/cell. Can I
get magnetic moment directly from this value ? Is this value different from
magnetic moment obtained by the formula  μ = (Mu-Md), where Mu and Md are
no. of electrons in up and down spin states.

Thanks for you attention


Manoj N
Allahabad Uty.
India
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20140622/a6ff7966/attachment.html>