[Pw_forum] reading data with q2r.x

Alexandre Lebon Alexandre.Lebon at univ-brest.fr
Thu Feb 16 11:18:13 CET 2012


Dear Lorenzo

I am using a spin orbit calculation without magnetic moment.
The version of QE is 4.3.1

Thanks for your early answer

Alexandre
Lorenzo Paulatto <Lorenzo.Paulatto at impmc.upmc.fr> a écrit :

> On Thu, 16 Feb 2012 10:01:11 +0100, Alexandre Lebon
> <Alexandre.Lebon at univ-brest.fr> wrote:
>> How can I avoid to produce .xml output from ph.x? This is
>> actually not documented in the INPUT_PH.html page.
>
>
> Dear Alexandre,
> in principle, the file is written in XML format only if fildyn ends with
> ".xml", or if you are doing a non-collinear calculation. If you are not in
> one of these case, please report the exact version of the code you are
> using, so we can check if there is a bug.
>
> bests
>
> --
> 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
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Alexandre Lebon, Maître de Conférences
28 ème section CNU

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