[Wien] SIGMA OF V-XC FIT

[Peter Blaha]

It is not great, but probably still tolerable.

Eventually one could increase the LM values in case.in2 (to 8 or even 10),
or has to reconsider the RMT spheres (usually making this atom smaller).

> If this is moderately large (0.1E-01) is this an issue that one can
> (should) do anything about?
> 
> -----------------------------------------------
> Laurence Marks
> Department of Materials Science and Engineering
> MSE Rm 2036 Cook Hall
> 2225 N Campus Drive
> Northwestern University
> Evanston, IL 60201, USA
> Tel: (847) 491-3996 Fax: (847) 491-7820
> mailto:L-marks at northwestern.edu
> http://www.numis.northwestern.edu
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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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