In order to cope with missing information in 'highest occupied' line, a try except is added to avoid the Error.
This affects few calculations, but is real e.g. with some materials (e.g. MgO) and QE 5.1
The HOL and LUL dict entries are only used further when plotting bands, and this read error should not block the reading procedure.
jochym
commented
7 years ago
In order to cope with missing information in 'highest occupied' line, a try except is added to avoid the Error. This affects few calculations, but is real e.g. with some materials (e.g. MgO) and QE 5.1 The HOL and LUL dict entries are only used further when plotting bands, and this read error should not block the reading procedure.