QuantumChemistry
SearchFunctionals
search for a specific DFT functional or family of DFT functionals
Calling Sequence
Parameters
Description
Examples
SearchFunctionals(keyword)
keyword
-
name (string) name or partial name of a functional
The SearchFunctionals searches all available DFT functionals for a specific functional or family of functionals with name or names containing the given keyword.
The output is a list of available functionals containing the given keyword.
For example, we can search through all available DFT functionals for those containing the "LYP" keyword
See Also
Functionals
DensityFunctional
RDMFunctional
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