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

Ronald Cohen rco... at carnegiescience.edu
Thu Sep 12 11:11:55 UTC 2019

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,


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.

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