The CP2K project : input section BECKE88_LR_ADIABATIC

Section BECKE88_LR_ADIABATIC

Index of all sections. This section is located at __ROOT__%FORCE_EVAL%PROPERTIES%LINRES%EPR%PRINT%G_TENSOR%XC%XC_FUNCTIONAL%BECKE88_LR_ADIABATIC.

Uses the Becke 88 longrange exchange functional in an adiabatic fashion. This section can not be repeated and can not be optional.

This section cites following reference: [BECKE1988]

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_X
scales the exchange part of the functional
This optional keyword expects a real. Default value: 1.0000000000000000E+00
OMEGA
Potential parameter in erf(omega*r)/r
This optional keyword expects a real. Default value: 1.0000000000000000E+00
LAMBDA
Defines the parameter of the adiabatic curve
This optional keyword expects a real. Default value: 1.0000000000000000E+00


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