[Wien] effective charges

[ali Saadi]

Dear Peter Blaha,
Thank you very much.

Peter Blaha <pblaha at zeus.theochem.tuwien.ac.at> wrote:
> I need the charges inside the spheres. Should i look at the CHAxx parameters in the scf file?

Look at :CTOxxx for "total charges within spheres (including the 
core-charge)"

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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