TILAMBDA: Difference between revisions
(Created page with "{{DISPLAYTITLE:TILAMBDA}} {{TAGDEF|TILAMBDA|real | 0.0}} Description: {{TAG|TILAMBDA}} defines the coupling parameter <math>\lambda</math> used in 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 == {{TAG|HESSEMAT}}, {{TAG|REPORT}} Category:INCARCategory:Adva...") |
No edit summary |
||
| (One intermediate revision by the same user not shown) | |||
| Line 2: | Line 2: | ||
{{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}}, | {{TAG|HESSEMAT}}, [[ICONST]], [[REPORT]] | ||
[[Category:INCAR]][[Category:Advanced molecular-dynamics sampling]] | [[Category:INCAR]][[Category:Advanced molecular-dynamics sampling]] | ||
Latest revision as of 14:10, 17 October 2024
TILAMBDA = real
Default: TILAMBDA = 0.0
Description: TILAMBDA defines the coupling parameter used in Thermodynamic integration with harmonic reference. The value of must be from the inverval .
How to run thermodynamic integration calculations is given here.