[Q-e-developers] Advanced Quantum ESPRESSO Developers' Meeting 2016 (linear-response)

[Nicola Marzari]

Dear Iurii, All,


great idea. I'd also like to participate - it's a very tight week
(Mon-Wed there is PASC 2015 in Zurich), but I'm also cc'ing Nicola
Varini, Nicolas Mounet, and Giovanni Pizzi - so there would be
certainly someone from here.

As a side note, I wanted to mention an unrelated thing that is very
important for us - currently AiiDA parses pwscf and phonon outputs,
until we converge on alternatives (xml, etc...). Please keep this
in mind with respect to the output files of the codes, since any
change typically breaks our scripts (I understand well that outputs
might need to evolve, but I'm highlighting how it would be important
to be in touch re this for any changes - and/or about plans for xml).

Thanks a lot,

				nicola




On 29/05/2015 11:34, Iurii Timrov wrote:
> Dear member of the Quantum ESPRESSO community,
>
> In the last Quantum ESPRESSO (QE) developers' meeting, the need for
> better structuring and organization of linear-response codes in QE
> (PHonon, TDDFPT, etc.) has become evident: their complexity is growing
> and a refactoring or reorganization shouldn't be postponed any longer.
> We propose to organize a one-week meeting for interested developers,
> tentatively in Trieste in January 2016 in order to discuss about this
> issue and to distribute tasks among those who agree to participate. We
> have contacted you as a past or current contributor to the
> linear-response codes in QE (feel free to extend this invitation to your
> collaborators). We would like to hear from you whether you agree on the
> need for a refactoring or reorganization of the linear-response codes
> and what you think about or idea. Could you please let us know whether
> you are interested in participating to a Skype conference, tentatively
> next week?
>
> Kind regards,
> Iurii Timrov, Stefano Baroni, Paolo Giannozzi, Ralph Gebauer
>
>

-- 

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Prof Nicola Marzari, Chair of Theory and Simulation of Materials, EPFL
Director, National Centre for Competence in Research NCCR MARVEL, EPFL