LVDW EWALD: Difference between revisions

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{{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 pairwise van der Waals corrections schemes, including 
Description: {{TAG|LVDW_EWALD}} decides whether the lattice summation in <math>E_{disp}</math> expression by means of Ewald's summation is computed.
{{TAG|DFT-D2}}, {{TAG|Tkatchenko-Scheffler method}}, or {{TAG|Tkatchenko-Scheffler method with iterative Hirshfeld partitioning}}. Available in VASP.5.3.4 and later.
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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]]. Available in VASP.5.3.4 and later.


== 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}}

Revision as of 15:20, 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. Available in VASP.5.3.4 and later.

Related tags and articles

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

Examples that use this tag