[CPMD-list] atomic units: Hartrees or Rydbergs?

[Robert Williams]

Dear list,

A.U. seems to mean different things to different folks.
I assume in CPMD that energy units are Hartrees,
but I see that the energy cutoff units are Rydbergs.
Also, in a previous post I noted that the value
for the van der Waals strength (alpha) given in the
contrib vdw examples was a factor of ten greater than
the values provided by the literature reference
(after conversion to hartrees).   So...

Just to be sure, what are the units of energy used internally?

Bob
-- 
Dr. Robert Williams
Department of Biomedical Informatics
Uniformed Services University of the Health Sciences
301-295-3568