[QE-users] about the boundary in cp.x

杨庆 2529455006 at qq.com
Thu Apr 21 04:13:17 CEST 2022


Dear qe users:
  Now i am dong cpmd in cp.x ,but i do not know how to control the boundary.i have learned  that the default boundary in qe is pbc,but when i use 'verlet',the atoms run out of the box,how can i solve this problem?
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