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Excited state properties p p - WIEN 2k

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Density of <strong>state</strong>s<br />

4<br />

DOS<br />

[ <strong>state</strong>s per<br />

eV and cell]<br />

3 total<br />

2<br />

1<br />

0<br />

3 d<br />

2<br />

1<br />

0<br />

0.4<br />

0.2<br />

s<br />

0.0<br />

0.4 p<br />

0.2<br />

0.0<br />

0.4<br />

0.2<br />

f<br />

0.0<br />

-10 0 10 20 30 40<br />

Energy [eV]<br />

S / energy 2<br />

joint DOS<br />

0.14<br />

0.12<br />

0.10<br />

0.08<br />

0.06<br />

0.04<br />

0.02<br />

0.00<br />

non-relativistic<br />

scalar-relativistic<br />

relativistic<br />

0 5 10 15 20 25<br />

Energy [eV]<br />

Example: Au

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