The CP2K project : input section THERMOSTAT
Section
THERMOSTAT
Index of all sections
. This section is located at
__ROOT__
%
MOTION
%
MD
%
BAROSTAT
%
THERMOSTAT
.
Specify thermostat type and parameters controlling the thermostat. This section can not be repeated and can be optional.
Subsections
NOSE
CSVR
PRINT
Section keywords
TYPE
Keyword descriptions
TYPE
thermostat NOSE
Specify the thermostat used for the constant temperature ensembles.
This optional keyword expects a keyword. Default value: SAME_AS_PARTICLE
valid keywords:
SAME_AS_PARTICLE
: Use the same kind of thermostat used for particles.
NOSE
: Uses the Nose-Hoover thermostat.
CSVR
: Uses the canonical sampling through velocity rescaling.
Back to the
CP2K homepage
or the latest version of
this manual