[CP2K-user] [CP2K:12209] Re: Spin Polaization in Kohn-Sham calculations

[Ronald Cohen]

I do not understand how you get a non-integer spin if you fill states one electron at a time for up and down states. Perhaps I do not understand ‘Integrated absolute spin density is non-integer.’  Thank you,

Ron

Sent from my iPhone

> On Sep 12, 2019, at 06:45, Vladimir Rybkin <rybk... at gmail.com> wrote:
> 
> Integrated absolute spin density is non-integer.