[Wien] GGA vs PBE query

[Laurence Marks]

GGA is not a functional!

_____
Professor Laurence Marks
"Research is to see what everybody else has seen, and to think what nobody
else has thought", Albert Szent-Gyorgi
www.numis.northwestern.edu

On Wed, Aug 1, 2018, 6:35 AM chin Sabsu <chinsabsu at yahoo.in> wrote:

> Dear All
>
> For some case, I am getting optimized parameters with GGA while PBE is
> overestimating.
>
> It is well known from the literature that for most of the cases, PBE is
> good for band structure.
>
> So I am curious to know whether I  can do optimization with GGA and then
> use PBE with GGA optimized parameters?
>
> Looking forward to hearing from you.
>
> Kind regards
> Bhamu
>
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