[Wien] unit for in the AIM calculation.

[Peter Blaha]

> I am using AIM in WIEN2K.
> Could anybody help me to figure out what is the unit
> for the charge density and laplacian in the case.crit
> file.

It is e/bohr^3 and e/bohr^5 respectively. However, you should use
extractaim_lapw. This will sort and convert the data to e/Ang^3...

                                      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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