[Pw_forum] Potassium PBE pseudopotential

Nicola Marzari marzari at MIT.EDU
Sun Sep 2 21:17:03 CEST 2007

Dmitry Korotin wrote:
> Dear ESPRESSO users,
> does anyone have potassium pseudopotential created with PBE
> exchange-correlation functional for share?
> Thank you in advance,
> Dmitry Korotin
> PhD student,
> Institute of Metal Physics,
> Ural branch of RAS,
> Russia

Hi Dmitry,

I do not have one (if you get one, do send it to the group, so
we can update the page).

If you do not get any, the simplest would be to generate
one using David Vanderbilt's code.

The input for LDA is on the web, so it's just a matter of
switching the flag from LDA to PBE, and testing it

Let us know,


Prof Nicola Marzari   Department of Materials Science and Engineering
13-5066   MIT   77 Massachusetts Avenue   Cambridge MA 02139-4307 USA
tel 617.4522758 fax 2586534 marzari at mit.edu http://quasiamore.mit.edu

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