The CP2K project : input section XGGA

Section XGGA

Index of all sections. This section is located at __ROOT__%FORCE_EVAL%DFT%XC%XC_FUNCTIONAL%XGGA.

Uses one of the XGGA functionals (optimized versions of some of these functionals might be available outside this section). This section can be repeated and can not be optional.

Subsections

None

Section keywords

Keyword descriptions

_SECTION_PARAMETERS_
activates the functional
This optional keyword expects a logical
This keyword behaves as a switch T . Default value: F
FUNCTIONAL
FUNCTIONAL PW86X
Which one of the XGGA functionals should be used
This optional keyword expects a keyword. Default value: BECKE88X
valid keywords: BECKE88X, PW86X, PW91X, PBEX, REV_PBEX, OPTX


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