[CPMD-list] Energies

[Gary Martin]

Dear all,

Now that this email has turned up, I might as well take the opportunity 
of thanking Ari Seitsonen for his answer to my question.

Cheers,
	Gary


Gary Martin wrote:
> A simple question here I hope!
> 
> I just wanted to check, for my peace of mind, what the energy unit 
> "A.U." refers to in the output of CPMD. I don't think that I have missed 
> anything completely obvious that states this unequivocally but sorry if 
> I missed something!
> 
> Cheers
>     Gary