# BAROSTAT

Parameters of barostat. [Edit on GitHub]

Subsections

- MASS
- PRINT
- THERMOSTAT
- VELOCITY

## Keywords

- PRESSURE

- TEMPERATURE

- TEMP_TOL

- TIMECON

- VIRIAL

## Keyword descriptions

PRESSURE: real = 0.00000000E+000 [bar]

  Usage: PRESSURE real

  Initial pressure [Edit on GitHub]

TEMPERATURE: real = [K]

  Usage: TEMPERATURE real

  Barostat initial temperature. If not set, the ensemble temperature is used instead. [Edit on GitHub]

TEMP_TOL: real = 0.00000000E+000 [K]

  Usage: TEMP_TOL real

  Maximum oscillation of the Barostat temperature imposed by rescaling. [Edit on GitHub]

TIMECON: real = 1.00000000E+003 [fs]

  Usage: TIMECON real

  Barostat time constant [Edit on GitHub]

VIRIAL: enum = XYZ

  Usage: VIRIAL (XYZ | X | Y | Z | XY| XZ | YZ)

  Valid values:

  - `XYZ`

  - `X`

  - `Y`

  - `Z`

  - `XY`

  - `XZ`

  - `YZ`

  For NPT_F only: allows the screening of one or more components of the virial in order to relax the cell only along specific cartesian axis [Edit on GitHub]