The CP2K project : input section XWPBE

Section XWPBE

Index of all sections. This section is located at __ROOT__%ATOM%METHOD%XC%XC_FUNCTIONAL%XWPBE.

Uses the short range PBE functional. This section can not be repeated and can not be optional.

This section cites following reference: [Heyd2004]

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
SCALE_X0
scales the exchange part of the original hole PBE-functional
This optional keyword expects a real. Default value: 0.0000000000000000E+00
OMEGA
screening parameter
This optional keyword expects a real. Default value: 1.0000000000000000E+00


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