ALPHA VDW: Difference between revisions

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{{DISPLAYTITLE:ALPHA_VDW}}
{{DISPLAYTITLE:ALPHA_VDW}}
{{TAGDEF|ALPHA_VDW|[real]}}
{{TAGDEF|ALPHA_VDW|[real]}}
{{DEF|ALPHA_VDW|0.94950|for {{TAG|IVDW_NL}}{{=}}1 or |0.28248_q|for {{TAG|IVDW_NL}}{{=}}1}}
{{DEF|ALPHA_VDW|0.94950|for {{TAG|IVDW_NL}}{{=}}3 or |0.28248|for {{TAG|IVDW_NL}}{{=}}4}}
 
Description: Specify <math>\alpha</math> in vdW-DF3-opt1/vdW-DF3-opt2.
----
 
The {{TAG|ALPHA_VDW}} tag allows to specify the value of the parameter <math>\alpha</math> in the kernel of the vdW-DF3-opt1/vdW-DF3-opt2 nonlocal van der Waals functionals.{{cite|chakraborty:jctc:2020}}
 
== Related tags and articles ==
{{TAG|GAMMA_VDW}},
{{TAG|PARAM1}},
{{TAG|PARAM2}},
{{TAG|Nonlocal vdW-DF functionals}}
 
{{sc|ALPHA_VDW|Examples|Examples that use this tag}}
== References ==
<references/>
 
[[Category:INCAR tag]][[Category:Exchange-correlation functionals]][[Category:van der Waals functionals]]

Latest revision as of 12:21, 19 March 2024

ALPHA_VDW = [real] 

Default: ALPHA_VDW = 0.94950 for IVDW_NL=3 or
= 0.28248 for IVDW_NL=4

Description: Specify in vdW-DF3-opt1/vdW-DF3-opt2.


The ALPHA_VDW tag allows to specify the value of the parameter in the kernel of the vdW-DF3-opt1/vdW-DF3-opt2 nonlocal van der Waals functionals.[1]

Related tags and articles

GAMMA_VDW, PARAM1, PARAM2, Nonlocal vdW-DF functionals

Examples that use this tag

References