TRANSITION_STATE

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

Subsections

• DIMER

Keywords

• METHOD

Keyword descriptions

METHOD: enum = DIMER

Usage: TYPE (DIMER)

Valid values:

• DIMER Uses the dimer method to optimize transition states.

References: Henkelman1999

Specify which kind of method to use for locating transition states [Edit on GitHub]