Fields accepting values in Elasticsearch Archive Query:
- system_reweighted_composition:
- system_composition:
- atom_symbols:
- program_name:
- atom_species:
- uploader:
- XC_treatment: add possible values and how get them https://www.scm.com/doc/ADF/Input/Density_Functional.html https://wiki.fysik.dtu.dk/gpaw/devel/overview.html https://wiki.fysik.dtu.dk/gpaw/documentation/manual.html#manual-xc
- calculation_method: add rules for classification
- MM:
- DFT: DFT
- DFT+U: DFT+U
- TDDFT: TDDFT
- MP2: MP2
- CC: [,CC2],[,CCSD],[,CCSD(T)],[,CCSDT]
- GW: [,G0W0] [,scGWcd ]
- MR: CASPT2, MCPF, MRCISD, RASSCF, CASVB, MRCI
- Space group:
- Crystal system:
- Basis set type: add rule for classification
- System type:
- Crystal:
- Surfaces:
- Molecules/Cluster: