[Q-e-developers] Pseudopotential Page

[Lorenzo Paulatto]

On Wed, 09 May 2012 11:53:53 +0200, Nicola Marzari  
<nicola.marzari at epfl.ch> wrote:
> 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).
>

I agree on this. Maybe we could add a field to the pseudopotential file  
that would cause pw.x to print a big warning at the *end* of the output,  
saying that an experimental pseudopotential was used.

I think in general, we could set up a simple "warning queue" to print all  
the warnings at the end, as nobody seems to be able to scroll up the  
output (me included).

cheers


-- 
Lorenzo Paulatto IdR @ IMPMC/CNRS & Université Paris 6
phone: +33 (0)1 44275 084 / skype: paulatz
www:   http://www-int.impmc.upmc.fr/~paulatto/
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