[DFTB-Plus-User] Calculation of HOMO and LUMO levels

[Hemanth Haridas]

Dear all,

I am trying to calculate the HOMO and LUMO levels of a molecule using DTB+.
However, I could only find Fermi energy in the detailed.out file. The
calculation was performed on the Gamma point. Any pointers on how to
calculate HOMO and LUMO levels would be much appreciated.

-- 
*Hemanth H 18310019*
Research Scholar
IIT Gandhinagar
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