Alex Granovsky
gran@classic.chem.msu.su
if not explicitly stated otherwise, Firefly uses atomic units throughout. Hence the answer is Hartrees.
Kind regards,
Alex Granovsky
On Wed Nov 19 '14 7:00am, Patrick SK Pang wrote
-----------------------------------------------
>What is the unit of orbital energies in the firefly output files? Hartree or eV?
>For example:
> ------------
> EIGENVECTORS
> ------------
> 1 2 3 4 5
> -20.5828 -1.3560 -0.7188 -0.5836 -0.5092
> A1 A1 B2 A1 B1
>