[Pw_forum] question about pp for Raman calculation

[Axel Kohlmeyer]

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
>
>
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-- 
Dr. Axel Kohlmeyer  akohlmey at gmail.com  http://goo.gl/1wk0
International Centre for Theoretical Physics, Trieste. Italy.