# GLE

References: Ceriotti2009, Ceriotti2009b

paramameters of the gle thermostat. This section can be generated from https://gle4md.org/index.html?page=matrix. [Edit on GitHub]

Subsections

- RNG_INIT
- S
- THERMOSTAT_ENERGY

## Keywords

- A_LIST

- A_SCALE

- C_LIST

- NDIM

## Keyword descriptions

A_LIST: real[ ] = [internal_cp2k]

  Keyword can be repeated.

  Usage: A_LIST real real real

  A matrix The defaults give optimal sampling for most cristalline and liquid compounds. Generated with the parameters set kv_4-4.a centered on w_0=40 cm^-1. [Edit on GitHub]

A_SCALE: real = 1.00000000E+000 [ps^-1]

  Usage: A_SCALE 0.5

  scaling factor for matrix A (for generic matrix A, depends on the characteristic frequency of the system). [Edit on GitHub]

C_LIST: real[ ] = [K_e]

  Keyword can be repeated.

  Usage: C_LIST real real real

  C matrix [Edit on GitHub]

NDIM: integer = 5

  Usage: NDIM 6

  Size of the gle matrix [Edit on GitHub]