HITOLER: Difference between revisions
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Revision as of 11:49, 26 February 2019
HITOLER = [real]
Default: HITOLER =
Description: HITOLER specifies the convergence parameter for iterative Hirschfeld partitioning (DFT-TS/HI).
Related Tags and Sections
LVDW, DFT-D2, DFT-D3, Tkatchenko-Scheffler method, Tkatchenko-Scheffler method with iterative Hirshfeld partitioning, Many-body dispersion energy, dDsC dispersion correction