Band structure¶
Band diagrams are useful analysis tools. Read Calculation of electronic band structures tutorial and try to understand what it does.
As a next step, calculate the bandstructure of FCC silver. Here we should be
careful with the choice of exchange-correlation functional to get a good
description of the d-band, which is generally poorly described within LDA.
(Why do you think that is?). Modify the script
bandstructure.py
so that it will work for
Ag instead of Si.
![../../../_images/Ag.png](../../../_images/Ag.png)
The bandstructure is plotted in the end of the script. Where is the d-band located? Experimentally it’s found to be approximately 4 eV below the Fermi- level.