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 in the {{TAG|DFT-D2}} method | 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 | ||
{{TAG|DFT-D2}}, {{TAG|Tkatchenko-Scheffler method}}, or {{TAG|Tkatchenko-Scheffler method with iterative Hirshfeld partitioning}}. Available in VASP.5.3.4 and later. | |||
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Revision as of 13:27, 4 October 2022
LVDW_EWALD = logical
Default: LVDW_EWALD = .FALSE.
Description: LVDW_EWALD decides whether lattice summation in expression by means of Ewald's summation is computed in the pairwise van der Waals corrections schemes, including DFT-D2, Tkatchenko-Scheffler method, or Tkatchenko-Scheffler method with iterative Hirshfeld partitioning. Available in VASP.5.3.4 and later.