[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,

=======================================================
thanks
====================
Sakhraoui Taoufik
Phd student, LMCN
Monastir,
 Tunisia
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