[Pw_forum] Potassium PBE pseudopotential

[Nicola Marzari]

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
http://www.physics.rutgers.edu/~dhv/uspp/uspp-cur/Work/019-K/019-K-ca-sp-vgrp/

Let us know,

			nicola

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