[Wien] Wavefunction vs pressure

Tarik Ouahrani tarik_ouahrani at hotmail.com
Sun Nov 23 09:03:31 CET 2008


Dear wie2k user
I want to analyze wave function to the SCF calculus of my compound  vs presses, for that I
would like to know which output  file must be used, will I take the complete function e.g (interstitial and spherical) or separately. 

Best regards 




_________________________________________________________________
Sur Windows Live Ideas, découvrez en exclusivité de nouveaux services en ligne... si nouveaux qu'ils ne sont pas encore sortis officiellement sur le marché !
http://ideas.live.com
-------------- next part --------------
An HTML attachment was scrubbed...
URL: http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20081123/e320ad29/attachment.html


More information about the Wien mailing list