HITOLER: Difference between revisions

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(Created page with "{{TAGDEF|HITOLER|[real]|<math>5\times10^{-5}</math>}} Description: {{TAG|AGGAC}} specifies the fraction of gradient corrections to the correlation in a Hartree-Fock/DFT hybri...")
 
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{{TAGDEF|HITOLER|[real]|<math>5\times10^{-5}</math>}}
{{TAGDEF|HITOLER|[real]|<math>5\times10^{-5}</math>}}


Description: {{TAG|AGGAC}} specifies the fraction of gradient corrections to the correlation in a Hartree-Fock/DFT hybrid functional type calculation.
Description: {{TAG|HITOLER}} specifies the convergence parameter for iterative Hirschfeld partitioning (DFT-TS/HI).
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== Related Tags and Sections ==
{{TAG|LVDW}},
{{TAG|DFT-D2}},
{{TAG|DFT-D3}},
{{TAG|Tkatchenko-Scheffler method}},
{{TAG|Tkatchenko-Scheffler method with iterative Hirshfeld partitioning}},
{{TAG|Many-body dispersion energy}},
{{TAG|dDsC dispersion correction}}
{{sc|HITOLER|Examples|Examples that use this tag}}
[[Category:INCAR]][[Category:Van der Waals]]

Revision as of 09:36, 10 July 2020

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


Examples that use this tag