[Pw_forum] NVT dynamics

Nichols A. Romero naromero at gmail.com
Tue Feb 27 17:13:40 CET 2007


Hi,

Is the c.o.m. velocity a conserved quantity in NVT dynamics?
For example, if the c.o.m. velocity is initially zero should it stay that
way for the rest of the simulation?

Would a larger system be more susceptible to "forces" introduced by a finite
tolerance
on the SCF cycle?

If anyone on the list has experience with such things, it would be helpful.

-- 
Nichols A. Romero, Ph.D.
1613 Denise Dr. Apt. D
Forest Hill, MD 21050
443-567-8328 (C)
410-306-0709 (O)
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