ZAB VDW: Difference between revisions

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{{DISPLAYTITLE:Zab_vdW}}
{{DISPLAYTITLE:ZAB_VDW}}
{{TAGDEF|Zab_vdW|[real]|-0.8491}}
{{TAGDEF|ZAB_VDW|[real]|-0.8491}}


Description: The flag {{TAG|Zab_vdW}} allows to specify the value of the parameter <math>Z_{ab}</math> in the kernel of the non-local vdW correlation functional of Dion ''et al''.{{cite|dion:prl:2004}}
Description: The tag {{TAG|ZAB_VDW}} specifies the value of the parameter <math>Z_{ab}</math> in the kernel of the [[Nonlocal vdW-DF functionals|nonlocal vdW-DF functional of Dion ''et al''.]]{{cite|dion:prl:2004}}
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In a revised version of the vdW correlation functional from Lee ''et al''.{{cite|lee:prb:2010}}, <math>Z_{ab}=-1.887</math>.
In a revised version of the vdW correlation functional from Lee ''et al''.{{cite|lee:prb:2010}}, <math>Z_{ab}=-1.8867</math>.


== Related Tags and Sections ==
== Related tags and articles ==
{{TAG|VdW-DF functional of Langreth and Lundqvist et al.}},{{TAG|PARAM1}},{{TAG|PARAM2}}
{{TAG|Nonlocal vdW-DF functionals}}, {{TAG|PARAM1}}, {{TAG|PARAM2}}


{{sc|Zab_vdW|Examples|Examples that use this tag}}
== References ==
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[[Category:INCAR]][[Category:XC Functionals]][[Category:van der Waals]]
[[Category:INCAR tag]][[Category:Exchange-correlation functionals]][[Category: van der Waals functionals]]

Latest revision as of 07:19, 8 May 2024

ZAB_VDW = [real]
Default: ZAB_VDW = -0.8491 

Description: The tag ZAB_VDW specifies the value of the parameter in the kernel of the nonlocal vdW-DF functional of Dion et al.[1]


In a revised version of the vdW correlation functional from Lee et al.[2], .

Related tags and articles

Nonlocal vdW-DF functionals, PARAM1, PARAM2

References