# DIMER

Specifies parameters for Dimer Method [Edit on GitHub]

Subsections

- DIMER_VECTOR
- ROT_OPT

## Keywords

- ANGLE_TOLERANCE

- BETA

- DR

- INTERPOLATE_GRADIENT

- K-DIMER

## Keyword descriptions

ANGLE_TOLERANCE: real = 8.72664626E-002 [rad]

  Usage: ANGLE_TOLERANCE {real}

  This keyword sets the value of the tolerance angle for the line search performed to optimize the orientation of the dimer. [Edit on GitHub]

BETA: real = 5.00000000E+000

  Lone keyword: `5.00000000E+000`

  Usage: BETA {real}

  Exponential factor for the switching function used in K-DIMER [Edit on GitHub]

DR: real = 1.00000000E-002 [angstrom]

  Usage: DR {real}

  This keyword sets the value for the DR parameter. [Edit on GitHub]

INTERPOLATE_GRADIENT: logical = T

  Lone keyword: `T`

  Usage: INTERPOLATE_GRADIENT {logical}

  This keyword controls the interpolation of the gradient whenever possible during the optimization of the Dimer. The use of this keywords saves 1 evaluation of energy/forces. [Edit on GitHub]

K_DIMER: logical = F

  Lone keyword: `F`

  Usage: K-DIMER {logica}

  References: Xiao2014

  This keyword activates the constrained k-dimer translation J. Chem. Phys. 141, 164111 (2014). [Edit on GitHub]