[QE-users] data-file.xml not generated in outdir

[Pietro Davide Delugas]

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
>
>
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> users mailing list
> users at lists.quantum-espresso.org
> https://lists.quantum-espresso.org/mailman/listinfo/users


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