[MMTK] Relaxation times, relation to W_S and W_V (Kneller et al.)?

Andreas Kring akring1729 at gmail.com
Tue Feb 19 08:54:17 UTC 2008


Hi,

How are the relaxation times for the NoseThermostat and the 
AndersenBarostat related to the parameters W_S and W_V (Kneller et al., 
Phys. Rev. E, 54, 6825 (1996)), respectively?

Are the related in the following way?

Thermostat:
W_S = 3*N*k_B*Temp*(rexalation time)**2,
where N is the number of atoms in the system.

Barostat:
W_V = [P_ext*(relaxation time)**2]/(some reference length)**3


Kind regards
Andreas



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