Dear Users and Developers, I am trying to cell relax a slab structure (along z axis). What I expect is the pressure along z-direction ( diagonal term in pressure tensor) should be zero.? However, I see the value is about -20 kbar.
Could you help me to figure out there is any wrong in this case? I greatly appreciate to all your help. With best wishes, ----------------------------------------------- Dinh Loc Duong , Dr. Sungkyunkwan Advanced Institute of Nanotechnology Department of Energy Science Sungkyunkwan University, Suwon, 440-746, Korea Email: mambom1902 at yahoo.com, ddloc at skku.edu?
