|From:||"Khourshaei Shar, Ali" <akhoursh@...6666...>|
|Date:||Fri, 11 May 2018 22:56:34 +0000|
Dear LAMMPS users,
I have a unit lattice structure. But, I don't think it was used during calibration of the potential I'm using. Therefore, monitoring its behavior, I'm observing a very high value of initial pressure which cannot decrease during simple minimization using SD method for instance. So, I wonder if there is any suggestion you could please share with me.