TSUBSYS: Difference between revisions
Vaspmaster (talk | contribs) (Created page with '{{TAGDEF|TSUBSYS|[real array]}} Description: {{TAG|TSUBSYS}} sets the temperatures for the atomic subsystems in calculations with multiple Anderson thermostats (in case VASP was…') |
No edit summary |
||
| Line 11: | Line 11: | ||
{{TAG|PSUBSYS}}, | {{TAG|PSUBSYS}}, | ||
{{TAG|MDALGO}} | {{TAG|MDALGO}} | ||
{{sc|TSUBSYS|Examples|Examples that use this tag}} | |||
== References == | == References == | ||
Revision as of 13:15, 20 March 2017
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).