IRC VNORM0: Difference between revisions
(Created page with "{{DISPLAYTITLE:IRC_VNORM0}} {{TAGDEF|IRC_VNORM0|real | 0.002}} Description: in the damped velocity Verlet algorithm for the {{TAG|IRC calculations}}, the damping is realized...") |
No edit summary |
||
| (3 intermediate revisions by 2 users not shown) | |||
| Line 2: | Line 2: | ||
{{TAGDEF|IRC_VNORM0|real | 0.002}} | {{TAGDEF|IRC_VNORM0|real | 0.002}} | ||
Description: in the damped velocity Verlet algorithm for | Description: The constant velocity vector (in Å/fs) in an [[IRC calculations|IRC calculation]]. | ||
----- | |||
In the damped-velocity-Verlet algorithm for [[IRC calculations]], the damping is realized via rescaling the velocity vector to a constant value (in Å/fs) defined via the parameter {{TAG|IRC_VNORM0}}. | |||
== Related tags and articles == | |||
{{TAG|IRC calculations}}, | |||
{{TAG|IRC_DIRECTION }}, | |||
{{TAG|IRC_STOP}}, | |||
{{TAG|IRC_DELTA0}}, | |||
{{TAG|IRC_MINSTEP}}, | |||
{{TAG|IRC_MAXSTEP}} | |||
[[Category:INCAR tag]][[Category: Transition states]] | |||
Latest revision as of 12:42, 12 November 2023
IRC_VNORM0 = real
Default: IRC_VNORM0 = 0.002
Description: The constant velocity vector (in Å/fs) in an IRC calculation.
In the damped-velocity-Verlet algorithm for IRC calculations, the damping is realized via rescaling the velocity vector to a constant value (in Å/fs) defined via the parameter IRC_VNORM0.
Related tags and articles
IRC calculations, IRC_DIRECTION , IRC_STOP, IRC_DELTA0, IRC_MINSTEP, IRC_MAXSTEP