[CP2K:9689] Multiplicity for Magnetic properties

[Mengjia He]

Thank you very much! 

在 2017年11月19日星期日 UTC上午1:10:39，蒋宁写道：
>
> (24*5 *-*16*5)+1
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> 在 2017-11-17 22:23:47，"Mengjia He" <mengj... at gmail.com <javascript:>> 
> 写道：
>
> Dear all, 
>
> I'm trying to run MD for ferrihydrite. After setting the spin orbits of 
> Fe(+3) in BS section, I'm confused about MULTIPLICITY part. 
>
> In my system, there're 24*5 single electrons in alpha and 16*5 single electrons 
> in beta. So, may I kindly ask you that the MULTIPLICITY = (24*5*+*16*5)+1 
> or   (24*5 *-*16*5)+1 ?
>
> Cheers,
>
> Mengjia
>
>
>
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