TSUBSYS

From VASP Wiki

TSUBSYS = [real array] 

Description: TSUBSYS sets the temperatures for the atomic subsystems in calculations with multiple Anderson thermostats (in case VASP was compiled with -Dtbdyn).


Up to three user-defined atomic subsystems may be coupled with independent Andersen thermostats[1] (MDALGO=13).

The simulation temperature for the atomic subsystems is set by means of the TSUBSYS tag (one has to specify one number for each subsystem).

Related tags and articles

NSUBSYS, PSUBSYS, MDALGO

Examples that use this tag

References