CASTEP Dynamics dialog

The CASTEP Dynamics dialog allows you to set up and display the parameters that control the Dynamics task.

It contains the following tabs:

Dynamics: Provides access to the main parameters that specify the dynamics, including choice of ensemble, temperature, pressure, and the length of the run.
Options: Provides access to the parameters that control the details of the dynamics algorithm, including thermostat, barostat and wavefunction extrapolation settings.
Stress: Provides access to the parameters that control the external stress or hydrostatic pressure on the structure.

Help: Displays the Help topic for the current tab.

Access methods

Menu	Modules \| CASTEP \| Calculation \| Setup \| More...
Toolbar	\| Calculation \| Setup \| More...