[Pw_forum] question about pp for Raman calculation
giannozz at democritos.it
Mon Sep 10 18:22:41 CEST 2012
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.
Paolo Giannozzi, IOM-Democritos and University of Udine, Italy
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