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 | 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]]. Available in VASP.5.3.4 and later. | |||
== Related tags and articles == | == Related tags and articles == | ||
[[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 [math]\displaystyle{ E_{disp} }[/math] expression by means of Ewald's summation is computed.
LVDW_EWALD decides whether the lattice summation in [math]\displaystyle{ 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. Available in VASP.5.3.4 and later.
Related tags and articles
DFT-D2, DFT-ulg, Tkatchenko-Scheffler method