The CP2K project : input section TEMP_CONTROL

Section TEMP_CONTROL

Index of all sections. This section is located at __ROOT__%MOTION%BAND%OPTIMIZE_BAND%MD%TEMP_CONTROL.

Setup parameters to control the temperature during a BAND MD run. This section can not be repeated and can not be optional.

Subsections

None

Section keywords

Keyword descriptions

TEMPERATURE
Specify the target temperature
This optional keyword expects a real. Default unit: [K].
TEMP_TOL
Specify the tolerance on the temperature for rescaling
This optional keyword expects a real. Default unit: [K], default value: 0.0000000000000000E+00 K
TEMP_TOL_STEPS
Specify the number of steps to apply a temperature control
This optional keyword expects an integer. Default value: 0


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