When using a database extended set of atomic scattering factors, and converting to a complex representation, the energy bounds don't seem to correctly truncate to the same extents. Discovered issue with P3HT stochiometry and custom ASF data. Need to create a reproducible MWE.
When using a database extended set of atomic scattering factors, and converting to a complex representation, the energy bounds don't seem to correctly truncate to the same extents. Discovered issue with P3HT stochiometry and custom ASF data. Need to create a reproducible MWE.