[QE-users] DFPT of thin metal layer: convergence has not been achieved (solved)

[Christoph Wolf]

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
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