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

Michal Krompiec michal.krompiec at gmail.com
Fri Sep 7 16:33:50 CEST 2018


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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