[Wien] fsm -m 0.0 and AFM

[Stefaan Cottenier]

You have to modify this file manually. This is what the FAQ tries to 
tell you: "Atoms which carry no spin (e.g. an O between two AF metal 
atoms) should be made non-spinpolarized by setting equal numbers of up 
and dn-electrons."

Stefaan

>Dear Mr.Cottenier:
>  Thank you for telling me that fsm -m 0 is not a good description of Antiferromagnetism.
>  I have looked my case.inst file, however, I find a problem comparing with the NiO.inst in the faq. The O atom in my case.inst is:
>O
>He 3 5
>2,-1,1.0
>2,-1,1.0
>2, 1,1.0
>2, 1,1.0
>2,-2,2.0
>2,-2,0.0-----------ocuppation number of spin up not equal with spin down like in the NiO.inst
>  Doesn't the O electronic structure all same in the case.inst file,or it depend on defferent structure?
>  Further more, is there any paper about the occupation number in the case.inst file, I am not familiar with this quntuamn number.
>  Thank you once again. 
> 
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