PSUBSYS

From VASP Wiki
Revision as of 08:19, 29 April 2014 by Vaspmaster (talk | contribs) (Created page with '{{TAGDEF|PSUBSYS|[real array]}} Description: {{TAG|PSUBSYS}} sets the collision probabilities for the atoms in each atomic subsystem in calculations with multiple Anderson therm…')
(diff) ← Older revision | Latest revision (diff) | Newer revision → (diff)

PSUBSYS = [real array] 

Description: PSUBSYS sets the collision probabilities for the atoms in each atomic subsystem 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 collision probabilities for the atoms in each atomic subsystem is set by means of the PSUBSYS-tag (one has to specify one number for each subsystem).

Note: 0 ≤ PSUBSYS ≤ 1

Related Tags and Sections

NSUBSYS, TSUBSYS, MDALGO

References


Contents