[Wien] Fluorine -

[Peter Blaha]

I hav'nt done F-, but I'd expect it to work. Make sure, your input is
correctly formatted, i.e. that the keywords start exactly at the column as
given in the example below: (I have no idea what the best R-W for F- is !)
F   Watson
2.0 1.0
He 3 5
2,-1,1.0  P
2,-1,1.0  P
2, 1,1.0  P
2, 1,1.0  P
2,-2,2.0  P
2,-2,2.0  P


> Dear Wien users,
> 
> I am trying to produce an anion (Fluorine  +  1e-) with  LDA  using a Watson 
> sphere and I am obtaining (as output of lstart)  NAN for the the quantities 
> DVMAX,  VN-1  ,   VN      .
> The self-consistent calculation converges but I don't know whether it is 
> trustable.
> 
> Does anyone have any suggestions?

                                      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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