GAMMA_VDW

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Revision as of 21:03, 29 January 2024 by Ftran (talk | contribs) (Created page with "{{DISPLAYTITLE:GAMMA_VDW}} {{TAGDEF|GAMMA_VDW|[real]}} {{DEF|GAMMA_VDW|1.12|for {{TAG|IVDW_NL}}{{=}}3 or |1.29|for {{TAG|IVDW_NL}}{{=}}4}} Description: The tag {{TAG|ALPHA_VDW}} allows to specify the value of the parameter <math>\alpha</math> in the kernel of the nonlocal vdW-DF3-opt1 or vdW-DF3-opt2 correlation functional.{{cite|chakraborty:jctc:2020}} ---- == Related tags and articles == {{TAG|ALPHA_VDW}}, {{TAG|Nonlocal vdW-DF functionals}} {{sc|GAMMA_VDW|Examples|...")
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GAMMA_VDW = [real] 

Default: GAMMA_VDW = 1.12 for IVDW_NL=3 or
= 1.29 for IVDW_NL=4

Description: The tag ALPHA_VDW allows to specify the value of the parameter in the kernel of the nonlocal vdW-DF3-opt1 or vdW-DF3-opt2 correlation functional.[1]

Related tags and articles

ALPHA_VDW, Nonlocal vdW-DF functionals

Examples that use this tag

  1. ↑ D. Chakraborty, K. Berland, and T. Thonhauser, Next-Generation Nonlocal van der Waals Density Functional, J. Chem. Theory Comput. 16, 5893 (2020).
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