Dear all, it seems naaive but i am really asking about Lowdin charge calculated with pdos. =======================================================
Lowdin Charges: ???? Atom #?? 1: total charge =?? 7.2206, s =? 0.4905, p =? 0.0000, d =? 6.7302, ???????????????? spin up????? =?? 5.1646, s =? 0.2575, p =? 0.0000, d =? 4.9072, ???????????????? spin down??? =?? 2.0560, s =? 0.2330, p =? 0.0000, d =? 1.8230, ???????????????? polarization =?? 3.1086, s =? 0.0245, p =? 0.0000, d =? 3.0841, ======================================================= thanks ==================== Sakhraoui Taoufik Phd student, LMCN Monastir, Tunisia ==================== -------------- next part -------------- An HTML attachment was scrubbed... URL: http://pwscf.org/pipermail/pw_forum/attachments/20130604/df59af93/attachment.html
