The CP2K project : input section PW92

Section PW92

Index of all sections. This section is located at __ROOT__%FORCE_EVAL%DFT%XC%XC_FUNCTIONAL%PW92.

Uses the PerdewWang correlation functional. 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
SCALE
Scaling of the energy functional
This optional keyword expects a real. Default value: 1.0000000000000000E+00
PARAMETRIZATION
PARAMETRIZATION DMC
Which one of parametrizations should be used
This optional keyword expects a keyword. Default value: ORIGINAL
valid keywords: ORIGINAL, DMC, VMC


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