On Mon, Sep 10, 2012 at 6:22 PM, Paolo Giannozzi <giannozz at democritos.it> wrote: > On Mon, 2012-09-10 at 12:17 -0400, James Mao wrote: > >> cannot find any available LDA pp for F which is not ultrasoft >> and paw. > > there's a reason: norm-conserving F is very hard. Anyway, if you > follow the links in the pseudopotential page of the quantum espresso > web site, you will find for sure some norm-conserving LDA PP for F.
...and you should probably also start looking for a bigger/faster computer, so you can afford the cutoff. ;) axel. > > P. > -- > Paolo Giannozzi, IOM-Democritos and University of Udine, Italy > > > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum -- Dr. Axel Kohlmeyer akohlmey at gmail.com http://goo.gl/1wk0 International Centre for Theoretical Physics, Trieste. Italy.
