Frequently Asked Questions

“Note: a single QE.Label is assigned to atoms of different species.” : What does it mean?

This message can appear when you have regions. For example, if one C atoms is in region1 and another C atom is in region2.

“Mismatch between the requested and available manifolds”

This message can appear when you run Hubbard DFT+U calculations, for example with the mt_fhi pseudopotentials. Try a different set of pseudopotentials.