[CP2K-user] How the Fermi energy level is defined in CP2K?

msha...@gmail.com mshakiba.... at gmail.com
Sun Feb 21 09:39:44 UTC 2021


Hello everyone,

I see in CP2K that the Fermi energy level is set to HOMO energy. I was 
wondering if this is correct or not. How exactly CP2K compute the Fermi 
energy level?

Thanks in advance.
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