TSUBSYS: Difference between revisions

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Up to three user-defined atomic subsystems may be coupled with independent Andersen thermostats<ref name="Andersen80"/> ({{TAG|MDALGO}}=13).
Up to three user-defined atomic subsystems may be coupled with independent Andersen thermostats<ref name="Andersen80"/> ({{TAG|MDALGO}}=13).


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


== Related Tags and Sections ==
== Related tags and articles ==
{{TAG|NSUBSYS}},
{{TAG|NSUBSYS}},
{{TAG|PSUBSYS}},
{{TAG|PSUBSYS}},
{{TAG|MDALGO}}
{{TAG|MDALGO}}
{{sc|TSUBSYS|Examples|Examples that use this tag}}


== References ==
== References ==
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[[The_VASP_Manual|Contents]]


[[Category:INCAR]][[Category:Dynamics]]
[[Category:INCAR tag]][[Category:Molecular dynamics]]

Latest revision as of 14:34, 7 April 2022

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