[Wien] valency

[Yundi Quan]

Hi, All,
When I was doing calculation, I found that there are only 7.1 electrons
within the muffin-tin sphere of oxygen. Can I conclude that the valency of
the oxygen is +0.9 or the bonding is covalent? Or should I increase the
radius of the muffin-tin sphere of oxygen so as to make the charge inside
oxygen's muffin-tin sphere greater? I used to set the muffin-tin sphere of
oxygen to be 1.64.



Thanks  a lot.

Yundi
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