TILAMBDA: Difference between revisions

Latest revision as of 13:58, 25 March 2026

TILAMBDA = real
Default: TILAMBDA = 0.0

Description: TILAMBDA defines the coupling parameter $λ$ used in Thermodynamic integration using a Hessian reference. The value of $λ$ must be from the inverval $⟨ 0, 1 ⟩$ .

How to run thermodynamic integration calculations is given here.

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 {{TAGDEF|TILAMBDA|real  | 0.0}}
-Description: {{TAG|TILAMBDA}} defines the coupling parameter <math>\lambda</math> used in [[Thermodynamic integration#Thermodynamic integration with harmonic reference|Thermodynamic integration with harmonic reference]]. The value of <math>\lambda</math> must be from the inverval <math>\langle 0, 1 \rangle</math>.
+Description: {{TAG|TILAMBDA}} defines the coupling parameter <math>\lambda</math> used in [[Thermodynamic integration#Thermodynamic integration using a Hessian reference|Thermodynamic integration using a Hessian reference]]. The value of <math>\lambda</math> must be from the inverval <math>\langle 0, 1 \rangle</math>.
 How to run thermodynamic integration calculations is given [[Thermodynamic integration calculations#Alternative way of thermodynamic integration for harmonic solid|here]].