# QTB

References: Brieuc2016

Controls the QTB-PILE thermostat. Needs the exact harmonic integrator [Edit on GitHub]

Subsections

- RNG_INIT

## Keywords

- FP

- LAMBCUT

- LAMBDA

- NF

- TAU

- TAUCUT

- THERMOSTAT_ENERGY

## Keyword descriptions

FP: integer = 1

  Usage: FP {integer}

  Defines which version to use 0: f_P^(0), 1: f_P^(1) [Edit on GitHub]

LAMBCUT: real = 2.00000000E+000

  Usage: LAMBCUT {real}

  Scaling of cutoff freq. to ring polymer NM freq. [Edit on GitHub]

LAMBDA: real = 5.00000000E-001

  Usage: LAMBDA {real}

  Scaling of friction to ring polymer NM freq. [Edit on GitHub]

NF: integer = 128

  Usage: NF {integer}

  Number of points used for the convolution product. [Edit on GitHub]

TAU: real = 2.41888433E+001 [fs]

  Usage: TAU {real}

  Time constant for centroid motion. [Edit on GitHub]

TAUCUT: real = 1.20944216E-002 [fs]

  Usage: TAUCUT {real}

  Inverse of cutoff freq. for the centroid mode [Edit on GitHub]

THERMOSTAT_ENERGY: real = 0.00000000E+000

  Usage: THERMOSTAT_ENERGY {real}

  Thermostat energy for conserved quantity. Only useful in restart files. [Edit on GitHub]