The CP2K project : input section WFN_FITTING

Section WFN_FITTING

Index of all sections. This section is located at __ROOT__%FORCE_EVAL%DFT%WFN_FITTING.

Parameters needed to set wavefunction fitting. This section can not be repeated and can not be optional.

Subsections

None

Section keywords

Keyword descriptions

METHOD
METHOD BASIS_SET_FIT
Method that shall be used for wavefunction fitting
This optional keyword expects a keyword. Default value: BASIS_SET_FIT
valid keywords:
  • BASIS_SET_FIT: Fit wavefunction using AUX_BASIS_FIT


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