TRANSITION_STATE

Specifies parameters to perform a transition state search [Edit on GitHub]

Subsections

• DIMER

Keywords

• METHOD

Keyword descriptions

METHOD

Type: enum
Default: DIMER
Usage: METHOD (DIMER)

Description: Specify which kind of method to use for locating transition states

Valid values:

• DIMER Uses the dimer method to optimize transition states.

References: Henkelman1999

[Edit on GitHub]