shuangxingdai at gmail.com
Tue Jul 20 16:52:13 CEST 2010
I am running dynamics with PBC in xyz direction. Now I got a problem.
Since PBC is applied, some atoms will move to the other side of the box and
this will change the polarization. I need the results of polarization, so I
do not hope that the polarization changed during the dynamics. Does anyone
have idea how to solve this?
Thanks in advance.
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