The CP2K project : input section PBE_HOLE_T_C_LR

Section PBE_HOLE_T_C_LR

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

PBE exchange hole model in trucanted coulomb potential. This section can not 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_X
scales the exchange part of the functional
This optional keyword expects a real. Default value: 1.0000000000000000E+00
CUTOFF_RADIUS
Defines cutoff for lower integration boundary
This optional keyword expects a real. Default unit: [angstrom], default value: 5.2917720859000006E-01 angstrom


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