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. cheers, axel. YX> YX> Best YX> -- ======================================================================= 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.
