The one place for your designs
To enable design management, you'll need to meet the requirements. If you need help, reach out to our support team for assistance.
Bug, fleur does not assign core level occupations given in inp.xml
given inp.xml file with 2 species one with a core hole (different corelvel setup) and another without. in the output file, the core setup is the same. also the total energy is not the one I would expect.
Maybe a test case should be added for this feature. @gregor or is there something wrong in my input? inp.xml out.xml