[Pw_forum] Absolute energy values

Vipul Shivaji Ghemud vipul at physics.unipune.ac.in
Wed Mar 22 06:25:31 CET 2017


Hi all,
how do we get absolute energy values (HOMO, LUMO, Fermi) in QE? From what
I understand the values in the output are relative values and not
absolute. In VASP (other DFT based software) there is a formula for
getting absolute values, is there any solution in QE also?


-- 
Vipul S. Ghemud
Ph.D. student.
Dept of Physics,
SPPU, Ganeshkhind,
Pune- 411007.





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