TI LAMBDA: Difference between revisions
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{{TAGDEF|TI_LAMBDA|real | 0.0}} | {{TAGDEF|TI_LAMBDA|real | 0.0}} | ||
Description: {{TAG|TI_LAMBDA}} defines the coupling parameter <math>\lambda</math> used in [[Thermodynamic integration|Thermodynamic integration with harmonic reference]]. The value of <math>\lambda</math> must be from the inverval <math>\langle 0, 1 \rangle</math>. | Description: {{TAG|TI_LAMBDA}} 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>. | ||
== Related tags and articles == | == Related tags and articles == | ||
{{TAG|HESSEMAT}} | |||
[[Category:INCAR]][[Category:Advanced molecular-dynamics sampling]] | [[Category:INCAR]][[Category:Advanced molecular-dynamics sampling]] | ||
Revision as of 14:03, 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 .