[Q-e-developers] Fwd: [Q-e-commits] r9594 - trunk/espresso/Modules

Lorenzo Paulatto lorenzo.paulatto at impmc.upmc.fr
Tue Oct 30 10:45:37 CET 2012


On 30 October 2012 10:19, giannozz <giannozz at qeforge.qe-forge.org> wrote:

>        !
> +      IF ( ANY ( na_inp(1:ntyp) == 0 ) ) &
> +         CALL errore ('read_cards', 'some atomic species have no atoms',1)
> +      !
>        tapos = .true.
>        !
>
>
If I'm not wrong this "feature" was required by the XSpectra code.. can any
of the involved people confirm or deny?

cheers

-- 
Dr. Lorenzo Paulatto
IdR @ IMPMC -- CNRS & Université Paris 6
phone: +33 (0)1 44275 084 / skype: paulatz
www:   http://www-int.impmc.upmc.fr/~paulatto/
mail:  23-24/4é16 Boîte courrier 115, 4 place Jussieu 75252 Paris Cédex 05






-- 
Dr. Lorenzo Paulatto
IdR @ IMPMC -- CNRS & Université Paris 6
phone: +33 (0)1 44275 084 / skype: paulatz
www:   http://www-int.impmc.upmc.fr/~paulatto/
mail:  23-24/4é16 Boîte courrier 115, 4 place Jussieu 75252 Paris Cédex 05
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/developers/attachments/20121030/84e51584/attachment.html>


More information about the developers mailing list