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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Revision as of 14:59, 6 February 2018

HITOLER = [real]
Default: HITOLER =  

Description: HITOLER specifies the convergence parameter for iterative Hirschfeld partitioning (DFT-TS/HI).