LVDW EWALD: Difference between revisions
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Description: {{TAG|LVDW_EWALD}} decides whether the 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]] | {{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 == | ||
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