Hi, All,
<div>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.</div>
<div><br></div><div><br></div><div><br></div><div>Thanks a lot.</div><div><br></div><div>Yundi</div>