LVDW EWALD: Difference between revisions

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 $E_{disp}$ expression by means of Ewald's summation is computed.

LVDW_EWALD decides whether the lattice summation in $E_{disp}$ 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.

@@ Line 1: / Line 1: @@
 {{DISPLAYTITLE:LVDW_EWALD}}
 {{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 ==
-{{TAG|DFT-D2}}
+[[DFT-D2]],
+[[DFT-ulg]],
+[[Tkatchenko-Scheffler_method|Tkatchenko-Scheffler method]]
 {{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]]