[Pw_forum] can these small difference between energies be negligible?

[William Yim]

Hi yuehua,

Your question may be oversimplified. Are you talking about the energies of 
different isomers? If yes, then I agree that the differences are 
negligible. If no, then please provide more information.

Best regards,
William 

On Wed, 19 Dec 2007, xu yuehua wrote:

> hello all here:
> i am writing to ask you about the question which is motioned in my subject:
> here are some  total energies(ry):calculation by pwscf,and the system has 15
> atoms.
>  -172.2532
> -172.25322
> -172.25321
> -172.25321
> 
> thank you for your time.i look forward to your reply
> 
> 
>  your sincerely
> 
> 

-- 
Dr. Wai-Leung Yim
Institut fuer Reine und Angewandte Chemie,
Theoretische Chemie,
Carl von Ossietzky Universtaet Oldenburg,
26129 Oldenburg,
Germany
Email: wlyim at puccini.che.pitt.edu             
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Fax:	+49-441-798-3964