[Pw_forum] The perseudoes
akohlmey at cmm.chem.upenn.edu
Wed Dec 19 01:03:37 CET 2007
On Tue, 18 Dec 2007, shoutian sun wrote:
SS> >Dear all,
>there are a lot of perseudo potential, which one is the best?
the one that gives you the correct answer!!
unfortunately, that depends a lot on what you
want to do, so you may have to try and test
... if you do. please let us known which ones
worked best for you and what you used them for.
Axel Kohlmeyer akohlmey at cmm.chem.upenn.edu http://www.cmm.upenn.edu
Center for Molecular Modeling -- University of Pennsylvania
Department of Chemistry, 231 S.34th Street, Philadelphia, PA 19104-6323
tel: 1-215-898-1582, fax: 1-215-573-6233, office-tel: 1-215-898-5425
If you make something idiot-proof, the universe creates a better idiot.
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