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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