[Wien] strange result in FSM calculation

[Peter Blaha]

I don't know what you are doing wrong, but my tests yield the desired 
moment.

Try 
grep ':CHA ' case.scf

You should get alternating charges, whose difference is exactly the 
desired moment.

> Yesterday, I submittted a question about the "strange" behavior in FSM
> calculations.
> 
> Does anybody know something helpful ?
> Is a bug, maybe ?
> 
> Thanks in advance.
> 
> -- 
> *****************************************************************
> Dr. Sergio L. Palacios
> Profesor Titular de Física Aplicada
> Dpto. de Física. Universidad de Oviedo
> C/ Calvo Sotelo s/n. Oviedo. Asturias
> Spain
> Tel.: +34 98 5 10 28 48
> Fax: +34 98 5 10 33 24
> E-mail: sergio at pinon.ccu.uniovi.es; slpalacios at uniovi.es
> Web: http://www.asturlinux.org/wiki/index.php/FisicaCienciaFiccion
> ******************************************************************
> 
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> 


                                      P.Blaha
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Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
Phone: +43-1-58801-15671             FAX: +43-1-58801-15698
Email: blaha at theochem.tuwien.ac.at    WWW: http://info.tuwien.ac.at/theochem/
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