How to calculate Fermi energy of metals?

ashish dabral ashishd... at gmail.com
Wed Feb 8 16:24:30 UTC 2017


Hi, 

I would like to know how to calculate the fermi energy of metals using 
cp2k. 
For example, Cu has a fermi energy of around 7.0eV, which can also be 
calculated using the general formula involving carrier concentration (
https://en.wikipedia.org/wiki/Fermi_energy, the
three dimensional case.) I would like to know how can I obtain this value 
(approximate) from the bulk metal unit cell. 

I am interested in transition metals mostly. 

Thanks
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