Dear all, in case this happens to someone else, here for reference how I solved the problem:
a 1x1 in plane slab does not work, however a 2x2xN slab (with a bit of vacuum) seems to be working in all cases, even at lower k-point density. I am not quite clear yet why that is but I found it works for all (111) slabs I tried (Ag, Cu, Ni)! Hope that helps someone to avoid weeks of hair-pulling ;) Best, Chris -- Postdoctoral Researcher Center for Quantum Nanoscience, Institute for Basic Science Ewha Womans University, Seoul, South Korea
_______________________________________________ users mailing list [email protected] https://lists.quantum-espresso.org/mailman/listinfo/users
