I meet a strange problem that the atoms number changes with boundary conditon.
I tested in the in.eam in /bench directory.
With "ppp" boundary, the total atoms in the box is 32000.
While with "sss" boundary, the number changes to be 34461.
What is problem on earth?
If i want to calculate the energy of a surface,how should I do?
State Key Laboratory of Nonlinear Mechanics (LNM)
Institute of Mechanics, Chinese Academy of Sciences
No.15 Beisihuanxi Road
Beijing 100080, P. R. China