TI LAMBDA: Difference between revisions
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== Related tags and articles == | == Related tags and articles == | ||
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[[Category:INCAR]][[Category:Advanced molecular-dynamics sampling]] | [[Category:INCAR]][[Category:Advanced molecular-dynamics sampling]] | ||
Revision as of 14:04, 17 October 2024
TI_LAMBDA = real
Default: TI_LAMBDA = 0.0
Description: TI_LAMBDA defines the coupling parameter used in Thermodynamic integration with harmonic reference. The value of must be from the inverval .