[Wien] chemical bonding

[Laurence Marks]

Charge, as measured from DFT, and valence (chemical bonding) are very, very
different.

Without more information as to what you are asking, that is about the only
answer available.

---------------------------
Professor Laurence Marks
Department of Materials Science and Engineering
Northwestern University
www.numis.northwestern.edu 1-847-491-3996
"Research is to see what everybody else has seen, and to think what nobody
else has thought"
Albert Szent-Gyorgi
 On Mar 5, 2012 7:11 PM, "Yundi Quan" <quanyundi at gmail.com> wrote:

> Does LAPW method always underestimate the chemical bonding? For example,
> Fe2+ and Fe3+ have the same charge around them.
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