HITOLER: Difference between revisions
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{{TAGDEF|HITOLER|[real]|<math>5\times10^{-5}</math>}} | {{TAGDEF|HITOLER|[real]|<math>5\times10^{-5}</math>}} | ||
Description: {{TAG|HITOLER}} specifies the convergence parameter for iterative Hirschfeld partitioning | Description: {{TAG|HITOLER}} specifies the convergence parameter for the iterative Hirschfeld partitioning in the Tkatchenko-Scheffler method. | ||
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Revision as of 08:46, 20 July 2022
HITOLER = [real]
Default: HITOLER =
Description: HITOLER specifies the convergence parameter for the iterative Hirschfeld partitioning in the Tkatchenko-Scheffler method.
Related tags and articles
LVDW, DFT-D2, DFT-D3, Tkatchenko-Scheffler method, Tkatchenko-Scheffler method with iterative Hirshfeld partitioning, Many-body dispersion energy, dDsC dispersion correction