Excited state properties p p - WIEN 2k
Excited state properties p p - WIEN 2k
Excited state properties p p - WIEN 2k
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Band structure<br />
Band structure<br />
16<br />
18<br />
non-relativistic<br />
scalar-relativistic<br />
relativistic<br />
8<br />
10<br />
12<br />
14<br />
16<br />
s<br />
2<br />
4<br />
6<br />
8<br />
rgy [eV]<br />
s<br />
d<br />
f<br />
pd<br />
pf<br />
p<br />
-6<br />
-4<br />
-2<br />
0<br />
Energy<br />
pd<br />
-12<br />
-10<br />
-8<br />
-6<br />
K<br />
X<br />
G<br />
L<br />
W<br />
W<br />
K<br />
X<br />
G<br />
L<br />
W<br />
W<br />
K<br />
X<br />
G<br />
L<br />
W<br />
W<br />
Example: Au