From: Wei Chen (
Date: Fri Jun 17 2005 - 21:41:19 CDT

Hi, all,

I am using periodic boundary condition and constant pressure (1 atm).
I found that the fluctuations of pressure are the order of 100 bar.
Is this normal? Why is it so large?

Pressure is calculated as "internal force", so it has nine items. How
to get the common pressure from those nine items?

Another question, in .xsc files are there some items like
"s_x s_y s_z s_u s_v s_w". What are they?


Wei Chen


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