LVDW EWALD: Difference between revisions

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

@@ Line 2: / Line 2: @@
 {{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.
 ----
+{{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 ==
-{{TAG|DFT-D2}}
+[[DFT-D2]],
+[[DFT-ulg]],
+[[Tkatchenko-Scheffler_method|Tkatchenko-Scheffler method]]
 {{sc|LVDW_EWALD|Examples|Examples that use this tag}}