[Q-e-developers] Pseudopotential Page

Nicola Marzari nicola.marzari at epfl.ch
Wed May 9 11:53:53 CEST 2012


On 08/05/2012 12:29, Paolo Giannozzi wrote:
> Please have a look at the pseudopotential page
> in the new web site:
>    http://www.quantum-espresso.org/?page_id=190
> and at the "About" page linked on the right:
>    http://www.quantum-espresso.org/?page_id=282
> In my opinion, they should be exchanged: the
> latter as the main PP page, the former linked
> by the menu on the right. Any comments?
>
> P.



Ciao Paolo,


no particular opinion on the matter - but I think that more
visibility should be given to the ps_library project of Andrea
(with clear caveats that it is experimental, and it needs validation).

So my suggestion would be to have, whatever the first page might be,
that clealry indicated - so that people can default to ps_library if
they wish to.

We are trying to make it default, and test against standard QE pseudo,
in our runs (e.g. emine had some problem with the Ba, recently).

			nicola

-- 

----------------------------------------------------------------------
Prof Nicola Marzari, Chair of Theory and Simulation of Materials, EPFL



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