LVDW EWALD: Difference between revisions

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{{DISPLAYTITLE:LVDW_EWALD}}
{{DISPLAYTITLE:LVDW_EWALD}}
{{TAGDEF|LVDW_EWALD|logical|.FALSE.}}
{{TAGDEF|LVDW_EWALD|logical|.FALSE.}}


Description: {{TAG|LVDW_EWALD}} decides whether lattice summation in <math>E_{disp}</math> expression by means of Ewald's summation is computed in the {{TAG|DFT-D2}} method (available in VASP.5.3.4 and later).
Description: {{TAG|LVDW_EWALD}} decides whether the lattice summation in <math>E_{disp}</math> expression by means of Ewald's summation is computed.
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{{TAG|LVDW_EWALD}} decides whether the lattice summation in <math>E_{disp}</math> expression by means of Ewald's summation is computed in the pairwise van der Waals corrections schemes [[DFT-D2]], [[DFT-ulg]] and [[Tkatchenko-Scheffler_method|Tkatchenko-Scheffler method]].


== Related tags and articles ==
== Related tags and articles ==
{{TAG|DFT-D2}}
[[DFT-D2]],
[[DFT-ulg]],
[[Tkatchenko-Scheffler_method|Tkatchenko-Scheffler method]]


{{sc|LVDW_EWALD|Examples|Examples that use this tag}}
{{sc|LVDW_EWALD|Examples|Examples that use this tag}}
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[[Category:INCAR tags]][[Category:van der Waals]]
[[Category:INCAR tag]][[Category:Exchange-correlation functionals]][[Category: van der Waals functionals]]

Latest revision as of 15:23, 9 February 2024

LVDW_EWALD = logical
Default: LVDW_EWALD = .FALSE. 

Description: LVDW_EWALD decides whether the lattice summation in expression by means of Ewald's summation is computed.


LVDW_EWALD decides whether the lattice summation in expression by means of Ewald's summation is computed in the pairwise van der Waals corrections schemes DFT-D2, DFT-ulg and Tkatchenko-Scheffler method.

Related tags and articles

DFT-D2, DFT-ulg, Tkatchenko-Scheffler method

Examples that use this tag