Re: [QE-users] Query on pw.x error for 'relax' calculation

2020-10-16 Thread Ing. Martin Matas
Hello, Because periodic boundary conditions are applied, it seems to me that all your first 16 atoms (and not only them) are in fact located on the same place because their coordinates differ (nearly exactly) by lattice vectors, what you were told also by the error message. Please note that we

[QE-users] Query on pw.x error for 'relax' calculation

2020-10-16 Thread Naharin Jannath
Hello, I'm getting the following error message when I run "relax" calculation for As monolayer. What can I do? I disabled symmetry in script. Please help me. #OUTPUT %% task # 0 from check_atoms : erro