TSUBSYS: Difference between revisions

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[[The_VASP_Manual|Contents]]
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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).

Related Tags and Sections

NSUBSYS, PSUBSYS, MDALGO

Examples that use this tag

References


Contents