[DFTB-Plus-User] Is Fermi Level calculation reliable for molecules?

siddheshwar chopra sidhusai at gmail.com
Fri Aug 24 07:35:42 CEST 2018


Dear All,
I am using DFTB+ for molecules and polymer studies. I need to study the
states around the Fermi levels.
I want to confirm if the Fermi level energy mentioned in the "detailed.out"
file reliable?
Please answer in the light of molecules and polymers.

Kind Regards,

S. Chopra
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