-
Notifications
You must be signed in to change notification settings - Fork 173
Open
Labels
improvementreported issues that considered further improvement to atomatereported issues that considered further improvement to atomate
Description
atomate/atomate/vasp/firetasks/parse_outputs.py
Line 1128 in 01558e8
polarization_dict.update(split_abc(raw_ions, "raw_electron_polarization")) |
Hi,
The polarization analysis task writes raw_electron_polarization to the database, but not raw_ion_polarization. Looking at the code in parse_outputs.py, I don't think this is the intended behavior, although I'm not certain. In any case, it would be helpful to have both of the components of polarization written to the database.
bocklund
Metadata
Metadata
Assignees
Labels
improvementreported issues that considered further improvement to atomatereported issues that considered further improvement to atomate