Dear Pietro, Thanks, this explains a lot. In case anybody else struggles with this: QE's new xml format can be read by YAMBO's p2y if the latter is compiled with --with-p2y-version=qexsd (see http://www.yambo-code.org/forum/viewtopic.php?f=12&t=1405). Best, Michal
Dr. Michal Krompiec Adjunct Professor School of Chemistry, University of Southampton Highfield, Southampton SO17 1BJ, UK and Head of Computational Modelling | Performance Materials | Early Research and Business Development Merck On Fri, 7 Sep 2018 at 15:50, Pietro Davide Delugas <[email protected]> wrote: > > Hello > > in the latter versions of pw the xml data file has a new format and is called data-file-schema.xml instead of data-file.xml, > > If you are using version 6.3 you can still compile the program in order to use the old format, you have just to pass the --disable-xml option to the configure script. > > This configure option will be no longer present in the next releases and its already unavailable in the development version. > > kind regards - pietro > > > > On 09/07/2018 04:33 PM, Michal Krompiec wrote: > > Hello, > I'm trying to use QE with YAMBO. I start with an scf calculation followed by nscf calculation (with wf_collect = .true. and restart_mode = "from_scratch" in &control), but data-file.xml is not generated in outdir (but all the other files are!). This is happening even if I use the examples from a YAMBO tutorial (so it is not a simple error in my input file, I suppose). > What can be the source of the problem? > Thanks, > Michal > > Dr. Michal Krompiec > Adjunct Professor > School of Chemistry, University of Southampton > Highfield, Southampton SO17 1BJ, UK > > and > Head of Computational Modelling | Performance Materials | Early Research and Business Development > Merck > > > _______________________________________________ > users mailing list > [email protected] > https://lists.quantum-espresso.org/mailman/listinfo/users > > > _______________________________________________ > users mailing list > [email protected] > https://lists.quantum-espresso.org/mailman/listinfo/users
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