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
users@lists.quantum-espresso.org
https://lists.quantum-espresso.org/mailman/listinfo/users
_______________________________________________
users mailing list
users@lists.quantum-espresso.org
https://lists.quantum-espresso.org/mailman/listinfo/users
