[Pw_forum] Lowdin Charges
Sakhrawi Taoufek
tsakhrawi at yahoo.com
Tue Jun 4 14:36:15 CEST 2013
Dear all,
it seems naaive but i am really asking about Lowdin charge calculated with pdos.
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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,
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thanks
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Sakhraoui Taoufik
Phd student, LMCN
Monastir,
Tunisia
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