TILAMBDA: Difference between revisions

Latest revision as of 13:41, 7 March 2025

TILAMBDA = real
Default: TILAMBDA = 0.0

Description: TILAMBDA defines the coupling parameter $\lambda$ used in Thermodynamic integration with harmonic reference. The value of $\lambda$ must be from the inverval $\langle 0, 1 \rangle$ .

How to run thermodynamic integration calculations is given here.

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	{{TAG\|HESSEMAT}}, [[ICONST]], [[REPORT]]		{{TAG\|HESSEMAT}}, [[ICONST]], [[REPORT]]

	[[Category:INCAR]][[Category:Advanced molecular-dynamics sampling]]		[[Category:INCAR tag]][[Category:Advanced molecular-dynamics sampling]]