# [Pw_forum] spin polarized lowdin charges

Cyrille Barreteau cbarreteau at cea.fr
Thu Apr 29 08:07:27 CEST 2004

```Dear pwscf users,

I am doing a calculation of a magnetic Fe (cuboctahedron) cluster and I would
like to get the magnetic decomposition on  each atomic site of the cluster.
From projwfc.x I am able to get the total Lowdin charge decomposition
(see below) but I would also like the up and down spin charge decomposition.
How can I obtain this information?

thanks,

cyrille

Lowdin Charges:

Atom #   1: total charge =   7.4091, s, p, d, f =   0.8321  0.0000  6.5770
Atom #   2: total charge =   7.9526, s, p, d, f =   0.8952  0.0000  7.0574
Atom #   3: total charge =   7.9526, s, p, d, f =   0.8952  0.0000  7.0574
Atom #   4: total charge =   7.9526, s, p, d, f =   0.8952  0.0000  7.0574
Atom #   5: total charge =   7.9526, s, p, d, f =   0.8952  0.0000  7.0574
Atom #   6: total charge =   7.9526, s, p, d, f =   0.8952  0.0000  7.0574
Atom #   7: total charge =   7.9526, s, p, d, f =   0.8952  0.0000  7.0574
Atom #   8: total charge =   7.9526, s, p, d, f =   0.8952  0.0000  7.0574
Atom #   9: total charge =   7.9526, s, p, d, f =   0.8952  0.0000  7.0574
Atom #  10: total charge =   7.9526, s, p, d, f =   0.8952  0.0000  7.0574
Atom #  11: total charge =   7.9526, s, p, d, f =   0.8952  0.0000  7.0574
Atom #  12: total charge =   7.9526, s, p, d, f =   0.8952  0.0000  7.0574
Atom #  13: total charge =   7.9526, s, p, d, f =   0.8952  0.0000  7.0574
Spilling Parameter:   0.0112

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| Cyrille Barreteau           |  phone:+33 (0)1 69 08 29 51  |
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```