[QE-users] I don't know how to add empty bands and broaden my super cell

Coralie Khabbaz khabbaz.coralie at gmail.com
Thu Jun 18 01:44:05 CEST 2020


I am performing an SCF calculation (on a tungsten nitride slab that
contains 114 atoms) that is not converging. I was told that I had to add a
few empty bands and a broadening. However, I don't know how to do that as I
am still a beginner. How do I add empty bands and how do I broaden? Please
help!!
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