[Pw_forum] Fixed spin moment calculation in QE

[Paolo Giannozzi]

"tot_magnetization" (at least for LSDA calculations)

P.

On Fri, Nov 27, 2015 at 2:28 PM, Yusuf Zuntu <yzunt at yahoo.com> wrote:

> Dear QE users,
>
> Please I want to know the input flag to use in doing High spin S = 2 and
> Low spin S = 1 calculations in QE as defined in this paper
> http://dx.doi.org/10.1016/j.commatsci.2015.08.010 . Appreciate your kind
> response.
>
> Yusuf Zuntu
> PhD Candidate
> USM, Malaysia
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-- 
Paolo Giannozzi, Dept. Chemistry&Physics&Environment,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222
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