[Wien] orbital-projected charge

Yundi Quan quanyundi at gmail.com
Thu Oct 20 05:22:02 CEST 2011


Hi,
Is it possible to plot orbital-projected charge? For example, the 3s, 3p and
3d of atom 1 form valence bands. I want to know the total charge inside the
muffin-tin sphere which corresponds to the contribution from 3s, 3p and 3d,
i.e. decompose the valence charge into 3s, 3p and 3d charges.

Yundi
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