TSUBSYS: Difference between revisions
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Revision as of 17:24, 15 February 2019
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).