TSUBSYS: Difference between revisions
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[[Category:INCAR]][[Category:Molecular Dynamics]] | [[Category:INCAR]][[Category:Molecular Dynamics]] | ||
Revision as of 10:48, 19 April 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).