<html><body><div style="color:#000; background-color:#fff; font-family:garamond, new york, times, serif;font-size:14pt"><div>Dear all,</div><div><br></div><div>it seems naaive but i am really asking about Lowdin charge calculated with pdos.</div><div>=======================================================<br></div><div style="color: rgb(0, 0, 0); font-size: 18.6667px; font-family: garamond,new york,times,serif; background-color: transparent; font-style: normal;">Lowdin Charges:<br><br> Atom # 1: total charge = 7.2206, s = 0.4905, p = 0.0000, d = 6.7302,<br> spin up = 5.1646, s = 0.2575, p = 0.0000, d = 4.9072,<br> spin down
= 2.0560, s = 0.2330, p = 0.0000, d = 1.8230,<br> polarization = 3.1086, s = 0.0245, p = 0.0000, d = 3.0841,<br></div><div style="color: rgb(0, 0, 0); font-size: 18.6667px; font-family: garamond,new york,times,serif; background-color: transparent; font-style: normal;">=======================================================</div><div style="color: rgb(0, 0, 0); font-size: 18.6667px; font-family: garamond,new york,times,serif; background-color: transparent; font-style: normal;">thanks</div><div style="color: rgb(0, 0, 0); font-size: 18.6667px; font-family: garamond,new york,times,serif; background-color: transparent; font-style: normal;"><br></div><span style="color:rgb(91, 91, 91);"><span style="background-color:rgb(255, 255, 255);"><span><span><span
style="font-style:italic;"><span>====================<br>Sakhraoui Taoufik<br>Phd student, LMCN<br>Monastir,
Tunisia<br>====================</span></span></span></span></span></span><div style="color: rgb(0, 0, 0); font-size: 18.6667px; font-family: garamond,new york,times,serif; background-color: transparent; font-style: normal;"><br></div><div style="color: rgb(0, 0, 0); font-size: 18.6667px; font-family: garamond,new york,times,serif; background-color: transparent; font-style: normal;"><br></div></div></body></html>