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) -------------- next part -------------- An HTML attachment was scrubbed... URL: /pipermail/attachments/20070227/bffa3d45/attachment.htm
