FHI-aims: GW methodology parsing
The GW calculations are a type of perturbative calculations that are based on a previously run lower-level calculation, typically DFT.
There is a mechanism for handling this kind of chained methodology in the metainfo. Basically you create a section_method
for the lower level calculation, and then a new section_method
for the GW calculation that should then reference the lower-level method used as a starting point. The reference is created with section_method_to_method_refs
and should include the quantity method_to_method_kind = "starting_point"
Currently the FHI-aims parser creates these links otherwise just fine, but for some reason outputs method_to_method_kind = "core_settings"
. This can be seen e.g. in this entry.
I'm not sure how the parser fixing is supposed to happen... For now, I assigned it to you @temokmx :)