Dear All,
I did static calculation to benchmark the force filed. I set zero temperature by setting velocity zero: velocity all zero linear, and set pressure by :fix 1 all box/relax xyz 100.0 vmax 0.001.
But pressure I obtain is -1186.4699, totaly different from desired pressure (in this example: 100).
I also did with several different value of desired pressure. Here is the result.
2009-06-17 01:23:18 UTC in LAMMPS
