Dear Terry,

There shouldn't be any limits like that. Actually it looks like an error message no user should get. Could you attach the inp.xml file so that I can investigate this?

Did you change the inp.xml file after already having a charge density file in the directory?

Just for clarification: This error message occurs when the number of atom groups (types) in an old (non hdf5) charge density file is inconsistent with the number of atom groups in the Fleur input file. Such a file inconsistency typically occurs when a Fleur input file is regenerated with slight modifications, but an already existing charge density file in the directory is not removed.

I now rephrased the error message in the development version to "Number of atom groups in Fleur input file and in the charge density file don't match.". I hope in future this will be more understandable.