TILAMBDA: Difference between revisions
No edit summary |
|||
| Line 9: | Line 9: | ||
{{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.