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PSUBSYS

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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

Examples that use this tag

References