The CP2K project : input section LYP

Section LYP

Index of all sections. This section is located at __ROOT__%FORCE_EVAL%PROPERTIES%LINRES%EPR%PRINT%G_TENSOR%XC%XC_FUNCTIONAL%LYP.

Uses the LYP functional. This section can not be repeated and can not be optional.

This section cites following reference: [LEE1988]

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_C
scales the correlation part of the functional
This optional keyword expects a real. Default value: 1.0000000000000000E+00


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