TILAMBDA

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TILAMBDA = real
Default: TILAMBDA = 0.0 

Description: TILAMBDA defines the coupling parameter [math]\displaystyle{ \lambda }[/math] used in Thermodynamic integration using a Hessian reference. The value of [math]\displaystyle{ \lambda }[/math] must be from the inverval [math]\displaystyle{ \langle 0, 1 \rangle }[/math].

How to run thermodynamic integration calculations is given here.

Related tags and articles

HESSEMAT, ICONST, REPORT