[CPMD-list] "True" Eigenvalues

[Eung-Gun Kim]

Dear List Subscribers,

I was told that in most plane-wave/pseudopotential codes, there is a constant
energy term dropped when eigenvalues are calculated.  For most purposes where
only the energy difference matters, one would not need this dropped term.
However, in
some instances, for example, when one calculates the work function OR compares
HOMO/LUMO levels between two different molecules, this dropped term is to be
recovered.  Is there a way to retrieve this missing term to obtain "true"
eigenvalues?  Thanks very much for reading.

Best regards,

EG Kim