[Wien] Bader charge

[Peter Blaha]

>   it is mentioned in UG that for Bader analysis, to get the smooth charge
> density, the expansion of charge density upto llmax =10 is required.
>
> How can I increase llmax to 10 in case.in2(c) file?

You must edit this file and put in the required LM values by hand.

                                      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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