Hi Gui, a few things that help convergence: mixing_beta, mixing_mode. Is there a reason you want a certain number of bands? Otherwise smearing will add a suitable number of empty bands anyway.
Check out thermo_pw; a really great tool to generate and calculate slab systems: https://github.com/dalcorso/thermo_pw HTH! Chris -- Postdoctoral Researcher Center for Quantum Nanoscience, Institute for Basic Science Ewha Womans University, Seoul, South Korea
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