IRC DIRECTION: Difference between revisions

From VASP Wiki
(Created page with "{{DISPLAYTITLE:IRC_DIRECTION}} {{TAGDEF|IRC_DIRECTION|-1 {{!}} 1 {{!}} | 1}} Description: {{TAG|TI_LAMBDA}} defines the coupling parameter <math>\lambda</math> used in :Cat...")
 
No edit summary
Line 1: Line 1:
{{DISPLAYTITLE:IRC_DIRECTION}}
{{DISPLAYTITLE:IRC_DIRECTION}}
{{TAGDEF|IRC_DIRECTION|-1 {{!}} 1 {{!}} | 1}}
{{TAGDEF|IRC_DIRECTION|-1 {{!}} 1 | 1}}


Description: {{TAG|TI_LAMBDA}} defines the coupling parameter <math>\lambda</math> used in [[:Category: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|TI_LAMBDA}} defines the coupling parameter <math>\lambda</math> used in [[:Category: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>.

Revision as of 10:02, 6 November 2023

IRC_DIRECTION = -1 | 1
Default: IRC_DIRECTION = 1 

Description: TI_LAMBDA defines the coupling parameter used in Thermodynamic integration with harmonic reference. The value of must be from the inverval .