TILAMBDA: Difference between revisions
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{{TAGDEF|TILAMBDA|real | 0.0}} | {{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 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>. | ||
How to run thermodynamic integration calculations is given [[Thermodynamic integration calculations#Alternative way of thermodynamic integration for harmonic solid|here]]. | |||
== Related tags and articles == | == Related tags and articles == | ||
{{TAG|HESSEMAT}}, [[ICONST]], [[REPORT]] | {{TAG|HESSEMAT}}, [[ICONST]], [[REPORT]] | ||
[[Category:INCAR]][[Category:Advanced molecular-dynamics sampling]] | [[Category:INCAR tag]][[Category:Advanced molecular-dynamics sampling]] | ||
Latest revision as of 13:41, 7 March 2025
TILAMBDA = real
Default: TILAMBDA = 0.0
Description: TILAMBDA defines the coupling parameter [math]\displaystyle{ \lambda }[/math] used in Thermodynamic integration with harmonic 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.