[Pw_forum] Spin polarisation for odd number of electrons
Gabriele Sclauzero
sclauzer at sissa.it
Thu Sep 10 12:29:42 CEST 2009
Shaptrishi Sharma wrote:
> Hi QE user,
> My question has not been answered. I asked earlier once that how shall I
> perform spin polarisation in my system , as I have odd number of
> electrons
> in my system . Can anybody give any suggetions?
Use nspin=2 in &control namelist, as written in the user guide, and also in the
Doc/INPUT_PW input description.
Regards
GS
> Thanks
> SS
>
>
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