LVDW_EWALD

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.

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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.

Related tags and articles

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

Examples that use this tag

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