[Pw_forum] mixed of Pseudopotentials

Paolo Giannozzi giannozz at democritos.it
Mon Jan 7 10:14:24 CET 2013


On Mon, 2013-01-07 at 03:37 +0000, Shamsu Abubakar wrote:

> I'm not much sure whether this combinations can work perfectly or not,
> because the exchange-correlation functional are the same,but different
> pseudopotentials name. 

this is explained in the FAQ, in the pseudopotential pages of
the web site, ... By the way, different "names" correspond
to different approaches. Nothing will work "perfectly" if you
do not know the inngredients you are usung and why

P.

-- 
Paolo Giannozzi, IOM-Democritos and University of Udine, Italy





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