[Pw_forum] ultrasoft pseudopotential
akohlmey at cmm.chem.upenn.edu
Sun Mar 9 03:46:22 CET 2008
On Sun, 9 Mar 2008, Y.L. Xie wrote:
YX> Dear PWSCF users,
YX> I find a "good" method to make uspp (ultrasoft pseudopotential),
YX> which can give very precise results. If you need the pseudopotentials,
YX> please email me for more details.
how about making your pseudopotentials available
through the PWScf/QE webpages? ... and document your
"method" so others can benefit from it independently?
i guess a lot of people would be happy to use "good"
pseudopotentials and cite your corresponding paper.
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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